data_2ka6_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 2ka6 _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 ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 16.5 t60 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.538 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HZ2' ' CB ' ' A' ' 46' ' ' CYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.48 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 4.5 mmm . . . . . 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.43 HG23 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 4.4 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 13.3 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.495 ' CB ' ' HZ1' ' A' ' 49' ' ' LYS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HZ1' ' CB ' ' A' ' 46' ' ' CYS 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.9 mmm . . . . . 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm . . . . . 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB3' ' HZ1' ' A' ' 49' ' ' LYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 7.4 mmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.492 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 HG23 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.468 ' CE1' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.443 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HZ2' ' CB ' ' A' ' 46' ' ' CYS 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.5 mmm . . . . . 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 HG21 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.408 ' CE1' HG21 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 118.717 -0.659 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.436 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.5 mmm . . . . . 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.1 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.515 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.4 mmm . . . . . 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 32.3 t60 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.403 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.2 mmm . . . . . 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.408 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.145 0.498 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm . . . . . 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.3 mmm . . . . . 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.85 -75.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.035 3.157 . . . . 0.0 112.795 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -75.4 -28.0 59.27 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.708 -0.62 . . . . 0.0 110.297 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -52.52 -40.78 62.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.057 1.743 . . . . 0.0 112.792 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 16.5 t60 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.538 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HZ2' ' CB ' ' A' ' 46' ' ' CYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.42 -40.64 97.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -62.47 -19.19 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -74.51 -23.09 58.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.673 0.789 . . . . 0.0 113.003 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.93 157.49 36.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.439 1.096 . . . . 0.0 112.571 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.571 1.548 . . . . 0.0 111.49 -179.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 114.89 0.716 . . . . 0.0 114.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 15.7 t -153.39 169.19 23.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.886 1.675 . . . . 0.0 111.857 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -131.55 12.5 4.94 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.38 1.872 . . . . 0.0 112.531 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.62 176.79 9.57 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.923 1.689 . . . . 0.0 112.144 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 77.7 p -128.55 6.15 5.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.39 1.476 . . . . 0.0 114.885 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.84 125.06 22.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.332 1.453 . . . . 0.0 111.818 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.46 -30.96 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -174.3 156.34 2.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 127.554 2.342 . . . . 0.0 110.845 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.16 -175.35 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.879 3.053 . . . . 0.0 114.791 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.9 p -128.18 -9.28 5.32 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.469 1.508 . . . . 0.0 114.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -154.72 141.9 19.42 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.956 1.702 . . . . 0.0 110.817 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.63 152.67 30.26 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.184 1.794 . . . . 0.0 111.131 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -149.84 162.71 39.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.229 1.812 . . . . 0.0 110.78 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 33.3 p -72.95 -6.81 47.77 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.276 1.43 . . . . 0.0 113.844 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.4 p -76.27 56.81 1.08 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.856 2.062 . . . . 0.0 112.564 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -138.29 6.23 2.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.405 1.482 . . . . 0.0 114.385 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -125.04 -0.95 7.81 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 4.5 mmm -57.42 -31.47 65.91 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -76.78 -14.13 59.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.729 1.212 . . . . 0.0 113.81 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -92.7 -19.31 21.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.7 m 40.59 58.28 2.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.177 2.191 . . . . 0.0 115.367 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 126.401 1.88 . . . . 0.0 111.468 178.122 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.04 -79.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 124.115 3.21 . . . . 0.0 112.51 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.12 -27.38 66.41 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.885 0.874 . . . . 0.0 110.849 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.06 -34.61 63.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.003 1.721 . . . . 0.0 112.423 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.28 -45.3 92.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.94 -37.11 78.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.507 1.123 . . . . 0.0 112.926 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.29 -32.8 70.75 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.92 -34.75 44.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.635 1.174 . . . . 0.0 112.49 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.238 1.815 . . . . 0.0 112.743 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 N-CA-C 114.883 0.713 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 50.7 m -60.8 136.42 58.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.267 1.427 . . . . 0.0 112.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -143.12 158.54 43.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 0.0 111.036 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.11 167.38 30.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.508 1.523 . . . . 0.0 112.115 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.9 m -64.87 160.05 21.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.767 1.227 . . . . 0.0 112.767 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.62 144.52 56.94 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.272 1.029 . . . . 0.0 111.869 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.85 164.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.345 1.458 . . . . 0.0 112.712 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -141.94 72.86 23.26 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.351 1.46 . . . . 0.0 110.491 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.98 -176.51 2.42 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.395 3.397 . . . . 0.0 113.56 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 79.7 p -68.07 3.18 1.7 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.615 1.966 . . . . 0.0 115.764 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -137.53 146.91 44.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.273 1.829 . . . . 0.0 111.091 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 -161.13 1.18 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.991 2.116 . . . . 0.0 108.6 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -55.03 -16.92 3.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.722 -1.236 . . . . 0.0 114.138 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 25.2 p -71.02 -5.8 34.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.745 2.418 . . . . 0.0 114.388 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.5 p -52.74 -35.51 56.24 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 120.031 1.287 . . . . 0.0 114.199 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -64.87 -4.33 4.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.749 1.619 . . . . 0.0 114.253 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -117.69 3.55 12.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.095 1.358 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.47 -27.7 64.65 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 57.0 mtt -84.41 -11.49 56.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.542 1.937 . . . . 0.0 113.844 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.74 -33.19 69.97 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 5.1 t -78.5 -4.13 47.02 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.343 1.057 . . . . 0.0 113.22 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 126.166 1.786 . . . . 0.0 110.814 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.12 -61.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.619 2.879 . . . . 0.0 112.994 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -90.02 -28.03 19.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.631 1.172 . . . . 0.0 111.061 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.36 -39.39 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.038 0.935 . . . . 0.0 113.191 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.43 HG23 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.72 -43.2 76.47 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -67.65 -34.12 76.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.135 0.974 . . . . 0.0 112.859 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -95.63 7.97 44.75 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.068 1.347 . . . . 0.0 113.57 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -56.69 -30.35 63.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.63 1.572 . . . . 0.0 114.132 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 126.588 1.955 . . . . 0.0 113.928 177.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 20.3 m -57.19 -18.58 16.28 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.055 1.742 . . . . 0.0 114.894 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -72.4 -3.4 23.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.806 1.642 . . . . 0.0 114.066 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.1 ttt -138.57 153.13 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.579 1.552 . . . . 0.0 111.629 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 7.5 t -151.13 -178.45 6.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.833 1.653 . . . . 0.0 111.077 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.5 150.28 31.84 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.491 1.516 . . . . 0.0 112.508 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.13 152.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.516 1.126 . . . . 0.0 112.424 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -140.8 90.41 9.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.679 1.592 . . . . 0.0 109.336 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.64 177.98 6.85 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.757 2.971 . . . . 0.0 114.164 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 63.2 p -74.66 -16.66 60.76 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.751 1.62 . . . . 0.0 114.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -147.86 145.22 28.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.119 1.768 . . . . 0.0 111.667 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 15.6 tp -147.88 4.72 0.75 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -119.11 -4.62 10.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.426 . . . . 0.0 114.308 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 3.3 p -66.53 134.63 52.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.737 1.215 . . . . 0.0 112.471 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 p -65.21 -24.44 67.36 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -63.43 -2.31 1.49 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.066 1.746 . . . . 0.0 115.694 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -116.69 4.13 13.08 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.675 1.19 . . . . 0.0 113.213 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.43 ' CE1' HG23 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 4.4 mmm -55.03 -31.07 60.8 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.66 -18.68 65.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.682 1.593 . . . . 0.0 114.738 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 161.32 7.96 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.853 0.861 . . . . 0.0 111.049 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.4 m 71.81 -31.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.677 1.991 . . . . 0.0 113.757 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.928 2.091 . . . . 0.0 111.358 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.1 -62.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.751 2.967 . . . . 0.0 112.669 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -90.01 -26.66 20.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.743 0.817 . . . . 0.0 110.874 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.16 -39.4 69.47 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.446 0.698 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.69 -47.35 54.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -61.02 -36.9 80.75 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.146 0.885 . . . . 0.0 112.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -89.46 1.24 56.14 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.711 1.204 . . . . 0.0 113.748 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -64.48 -25.43 67.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.432 1.093 . . . . 0.0 113.647 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 C--O 1.241 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.31 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 N-CA-C 114.845 0.698 . . . . 0.0 114.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -69.76 -17.42 63.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.366 1.467 . . . . 0.0 114.621 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 55.18 30.69 14.99 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.21 1.804 . . . . 0.0 113.85 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.13 170.15 18.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.178 1.391 . . . . 0.0 112.675 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.1 m -141.13 155.15 46.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.749 1.62 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.63 18.99 3.9 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.828 1.251 . . . . 0.0 113.124 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.69 -14.5 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -156.56 138.88 10.34 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.841 1.656 . . . . 0.0 110.432 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -59.5 -179.79 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.914 3.076 . . . . 0.0 115.703 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 10.4 t -154.5 161.23 41.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.252 1.421 . . . . 0.0 112.019 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -154.85 163.52 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.807 2.043 . . . . 0.0 111.6 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 26.1 tp -149.73 151.97 34.51 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.734 1.214 . . . . 0.0 111.648 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -71.05 146.4 49.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.742 1.217 . . . . 0.0 112.258 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 53.5 p -128.04 -1.17 5.87 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.906 1.682 . . . . 0.0 112.768 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 33.4 m -45.07 123.35 3.84 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.077 2.951 . . . . 0.0 113.856 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.48 7.05 27.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.865 2.066 . . . . 0.0 114.621 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -113.01 4.33 16.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.766 1.226 . . . . 0.0 113.18 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 13.3 mmm -58.96 -25.66 63.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 20.0 ptp -101.32 -15.03 17.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 114.763 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.89 -16.86 32.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.539 1.536 . . . . 0.0 113.595 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 53.3 p -63.49 -31.83 73.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.884 1.674 . . . . 0.0 112.666 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.78 1.632 . . . . 0.0 111.252 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 -83.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.243 3.296 . . . . 0.0 112.423 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.01 -25.51 67.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.79 0.836 . . . . 0.0 111.215 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.96 -36.99 30.13 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.888 1.675 . . . . 0.0 112.717 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.495 ' CB ' ' HZ1' ' A' ' 49' ' ' LYS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HZ1' ' CB ' ' A' ' 46' ' ' CYS 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -70.99 -39.63 72.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -50.83 -29.7 12.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.406 1.482 . . . . 0.0 114.542 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -61.11 -13.28 16.21 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.613 1.965 . . . . 0.0 113.531 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -123.67 -6.63 8.02 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.595 1.958 . . . . 0.0 113.284 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 125.75 1.62 . . . . 0.0 111.057 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 CA-C-O 121.187 0.326 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 17.2 m -56.14 -15.1 3.22 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -131.0 16.36 5.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 113.533 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -62.17 151.12 36.85 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.281 -0.887 . . . . 0.0 112.967 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.6 p -73.05 -14.14 61.35 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.66 -5.38 29.1 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.6 m -75.84 -2.81 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.946 1.298 . . . . 0.0 112.598 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 63.9 m80 50.99 62.85 10.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.813 2.045 . . . . 0.0 114.006 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.23 -170.11 0.75 Allowed 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.25 3.3 . . . . 0.0 111.096 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.4 p -59.13 -26.79 65.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 46.49 38.02 5.0 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.633 1.973 . . . . 0.0 113.183 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.84 142.72 52.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.111 0.964 . . . . 0.0 112.683 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -147.91 23.23 1.09 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.383 1.473 . . . . 0.0 114.423 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 27.6 p -60.97 156.45 17.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.145 1.778 . . . . 0.0 113.692 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 p -59.39 -29.69 67.9 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.25 -1.07 2.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.211 1.804 . . . . 0.0 114.675 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -114.01 -1.16 13.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.942 1.297 . . . . 0.0 113.127 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.9 mmm -55.68 -25.67 40.86 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 9.5 mtt -100.8 -1.37 35.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.159 1.784 . . . . 0.0 113.938 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -59.88 -14.96 17.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 6.9 m -58.01 -29.78 65.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.214 1.406 . . . . 0.0 112.982 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.38 1.872 . . . . 0.0 112.879 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.34 -75.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.99 3.126 . . . . 0.0 112.424 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -71.57 -30.24 65.62 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.667 -0.646 . . . . 0.0 110.287 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.38 -39.24 72.62 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.744 0.818 . . . . 0.0 112.495 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG23 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.98 -42.77 76.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.292 0.0 OUTLIER 27.41 45.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 128.777 2.831 . . . . 0.0 117.526 176.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 55.64 26.5 9.32 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.52 3.128 . . . . 0.0 114.815 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -39.22 93.49 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.944 1.698 . . . . 0.0 114.232 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.727 2.011 . . . . 0.0 112.739 -179.164 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.857 0.703 . . . . 0.0 114.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 24.1 m 57.5 18.62 4.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.765 2.026 . . . . 0.0 115.852 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -151.51 172.86 15.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.493 1.517 . . . . 0.0 111.911 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 24.6 mmt -137.89 163.8 30.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.957 1.703 . . . . 0.0 111.196 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 78.3 p -152.44 173.54 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.487 1.515 . . . . 0.0 112.015 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.66 50.26 0.24 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.823 2.049 . . . . 0.0 114.644 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.98 -11.97 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.125 1.77 . . . . 0.0 115.283 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -153.79 140.8 13.19 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.896 2.078 . . . . 0.0 108.797 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.25 -48.73 20.25 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.061 3.174 . . . . 0.0 115.61 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 41.0 m 61.03 3.32 0.66 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.124 2.57 . . . . 0.0 116.287 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.97 164.81 18.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.487 2.315 . . . . 0.0 110.444 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.18 149.14 38.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.464 1.106 . . . . 0.0 111.533 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.21 6.04 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.336 1.454 . . . . 0.0 114.372 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 10.3 t -150.79 -175.28 5.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.428 1.891 . . . . 0.0 111.065 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.4 p 97.4 -16.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 C-N-CA 132.781 4.433 . . . . 0.0 113.986 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.33 0.67 0.16 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.379 2.272 . . . . 0.0 116.575 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -120.51 -0.37 10.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.443 1.497 . . . . 0.0 112.725 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.47 ' CE1' HG23 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm -56.71 -27.44 59.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -79.02 1.52 23.67 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.512 1.525 . . . . 0.0 113.594 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -115.92 0.26 13.03 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.2 m -59.23 -38.37 79.82 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.235 1.379 . . . . 0.0 113.363 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 125.71 1.604 . . . . 0.0 110.706 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 CA--C 1.55 0.977 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.6 -65.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.896 3.064 . . . . 0.0 113.341 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -90.12 -21.12 22.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 111.223 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.48 -35.33 60.47 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.513 1.525 . . . . 0.0 112.148 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.42 ' HB3' ' HZ1' ' A' ' 49' ' ' LYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.64 -47.13 76.63 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -67.39 -45.81 75.14 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.328 1.051 . . . . 0.0 112.9 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.51 -30.5 71.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.7 -8.81 59.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.359 1.064 . . . . 0.0 113.044 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 126.33 1.852 . . . . 0.0 110.358 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 19.9 m -58.78 -33.96 70.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.28 1.432 . . . . 0.0 114.252 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -158.74 -175.7 5.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.895 1.678 . . . . 0.0 110.856 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -50.76 -12.41 0.1 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 88.8 p -68.72 -14.59 63.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.182 1.355 . . . . 0.0 112.92 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -138.56 -174.67 3.88 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.626 2.771 . . . . 0.0 109.98 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.29 104.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.373 1.069 . . . . 0.0 110.061 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -146.37 71.82 13.05 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.518 1.527 . . . . 0.0 110.667 -176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.12 178.78 6.11 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.066 3.178 . . . . 0.0 113.875 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 44.5 p -69.53 170.22 11.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 113.207 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -121.36 170.48 9.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.872 2.069 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.42 167.04 23.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.928 1.691 . . . . 0.0 112.747 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -143.87 148.7 35.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.041 1.736 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.8 p -72.83 162.99 28.81 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.606 0.762 . . . . 0.0 111.554 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.9 p -62.75 -7.73 5.48 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -113.27 3.26 15.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.577 1.951 . . . . 0.0 112.315 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -126.37 4.03 6.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.001 1.72 . . . . 0.0 112.706 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm -54.44 -34.17 60.94 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 66.4 mtm -98.58 1.1 46.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.61 -37.4 75.79 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.551 1.069 . . . . 0.0 112.881 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 26.0 m -69.62 -22.67 63.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.504 1.522 . . . . 0.0 113.077 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 126.52 1.928 . . . . 0.0 111.201 -177.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.77 -62.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.903 3.069 . . . . 0.0 113.162 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -90.13 -27.03 19.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.496 1.118 . . . . 0.0 111.079 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.29 -36.86 44.36 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.392 1.877 . . . . 0.0 113.701 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.7 -42.49 93.13 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -74.92 -31.36 61.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.547 1.139 . . . . 0.0 113.73 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -81.17 -35.31 31.59 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -73.47 155.48 39.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.742 0.817 . . . . 0.0 112.06 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.496 . . . . 0.0 111.332 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 27.2 m -65.72 -21.33 66.52 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.2 m80 56.95 -177.86 0.05 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.476 1.911 . . . . 0.0 114.395 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 55.6 ttm -132.64 -0.54 3.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.799 1.64 . . . . 0.0 112.331 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.6 p -59.48 -5.15 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.09 17.51 1.09 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 8.0 m -38.52 127.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.927 1.691 . . . . 0.0 115.172 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -145.45 61.86 8.15 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.288 1.435 . . . . 0.0 113.404 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.43 -179.43 3.64 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.49 2.793 . . . . 0.0 113.14 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 83.8 p -138.25 10.65 2.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.544 1.538 . . . . 0.0 114.793 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -140.66 179.72 6.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.713 2.005 . . . . 0.0 110.996 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.19 2.14 0.62 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -76.46 -4.18 41.19 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.2 m -51.69 139.42 21.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.435 1.494 . . . . 0.0 113.234 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.7 p -57.87 112.31 1.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.451 1.9 . . . . 0.0 113.579 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -146.23 5.05 0.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.731 1.612 . . . . 0.0 115.025 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -122.63 0.91 9.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.444 1.098 . . . . 0.0 113.678 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 7.4 mmm -55.63 -21.45 17.86 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 61.2 mtm -102.7 0.36 32.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.477 1.911 . . . . 0.0 113.883 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -69.36 147.5 50.98 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.206 -0.934 . . . . 0.0 112.207 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 10.5 m -59.79 -30.84 69.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.498 1.519 . . . . 0.0 113.755 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.065 1.746 . . . . 0.0 110.376 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.49 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.856 3.037 . . . . 0.0 112.303 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -69.8 -27.66 65.09 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.64 -42.47 83.49 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.605 -0.684 . . . . 0.0 111.936 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.492 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 HG23 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.37 -43.23 77.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -65.96 -28.96 69.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.901 1.28 . . . . 0.0 113.521 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -79.83 -4.55 52.66 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.17 149.02 42.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.409 1.004 . . . . 0.0 112.371 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 112.11 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 N-CA-C 114.721 0.648 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 18.0 m -58.21 -13.25 4.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.33 1.852 . . . . 0.0 115.88 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -127.6 14.75 7.05 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.772 1.629 . . . . 0.0 112.564 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.37 145.33 55.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.694 1.198 . . . . 0.0 112.574 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.1 p -154.44 172.64 17.43 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.717 1.607 . . . . 0.0 111.719 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.91 163.67 11.61 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.93 0.872 . . . . 0.0 113.343 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.7 m -63.35 -17.56 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 68.9 m80 29.03 65.59 0.71 Allowed Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 127.606 2.362 . . . . 0.0 115.452 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.83 179.13 5.57 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.042 3.162 . . . . 0.0 114.366 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.6 m -70.8 55.65 0.18 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.004 2.522 . . . . 0.0 114.234 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -122.07 22.3 10.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 113.338 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.3 tp -139.4 113.32 8.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.931 1.692 . . . . 0.0 110.29 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -138.72 4.69 2.35 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.105 1.362 . . . . 0.0 114.58 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 19.5 p -66.92 -20.67 65.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.789 -1.194 . . . . 0.0 113.951 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 103.27 2.87 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.165 1.786 . . . . 0.0 107.679 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -148.69 13.15 0.91 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.59 -11.41 7.3 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.468 ' CE1' HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -21.05 50.52 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.64 5.07 41.38 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.031 1.732 . . . . 0.0 113.101 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -113.16 167.6 10.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.398 1.479 . . . . 0.0 112.663 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 35.2 p -75.42 -37.33 60.49 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.637 1.175 . . . . 0.0 112.194 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.318 1.847 . . . . 0.0 111.581 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -59.33 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.624 2.883 . . . . 0.0 112.385 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -90.13 -27.5 19.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.593 1.157 . . . . 0.0 110.616 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.43 -23.96 66.37 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.41 -44.27 79.2 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -69.07 -36.13 77.28 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.302 1.041 . . . . 0.0 112.727 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -71.11 -8.37 52.95 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -66.56 -14.02 61.79 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.923 1.238 . . . . 0.0 114.243 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.471 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 111.694 -179.656 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.7 p -69.14 -17.33 63.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.473 1.509 . . . . 0.0 114.505 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -154.13 173.71 15.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.301 1.84 . . . . 0.0 111.803 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -148.37 168.63 22.12 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.75 1.62 . . . . 0.0 111.421 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -134.9 1.42 3.02 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.75 20.56 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.159 1.383 . . . . 0.0 113.909 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.8 130.39 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.069 1.748 . . . . 0.0 111.618 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -152.26 134.7 8.83 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.335 1.454 . . . . 0.0 110.331 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -58.9 177.43 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.587 2.858 . . . . 0.0 116.081 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 11.6 t -159.74 159.15 32.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.188 1.795 . . . . 0.0 110.801 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -76.1 124.72 27.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.264 1.026 . . . . 0.0 110.727 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.14 40.01 1.13 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.039 1.336 . . . . 0.0 111.033 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -126.94 18.08 7.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.776 1.63 . . . . 0.0 112.37 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 45.7 p -138.93 147.49 42.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.398 1.879 . . . . 0.0 110.114 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 15.5 p -54.43 -47.8 72.42 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.306 1.042 . . . . 0.0 113.707 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.97 -8.63 0.66 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.3 2.24 . . . . 0.0 115.695 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.17 -2.51 9.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.926 1.29 . . . . 0.0 113.455 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.0 mmm -56.26 -23.36 35.8 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -72.02 -17.55 62.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.117 1.767 . . . . 0.0 113.386 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.74 140.88 58.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.972 0.909 . . . . 0.0 112.498 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 76.8 p -111.24 -32.89 6.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 113.518 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 126.118 1.767 . . . . 0.0 112.482 -179.328 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' HG2' ' H ' ' A' ' 3' ' ' GLN . 65.5 Cg_endo -67.48 -70.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.884 3.056 . . . . 0.0 112.268 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' PRO . 50.6 mt-30 -72.94 -29.27 62.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.926 0.89 . . . . 0.0 110.066 175.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -60.05 -37.6 80.32 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.443 ' CB ' ' HZ2' ' A' ' 49' ' ' LYS . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.443 ' HZ2' ' CB ' ' A' ' 46' ' ' CYS 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.73 -39.7 35.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -60.9 -31.79 71.28 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.768 1.167 . . . . 0.0 113.472 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.42 4.78 17.0 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -138.73 174.98 9.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.29 1.036 . . . . 0.0 113.676 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 124.691 1.196 . . . . 0.0 112.346 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 N-CA-C 114.88 0.712 . . . . 0.0 114.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 23.1 t -153.49 167.06 30.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 111.841 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -136.11 8.59 3.21 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.77 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.7 mtp -66.14 156.78 32.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.553 1.141 . . . . 0.0 112.62 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 48.0 p -71.49 -12.82 61.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . 0.272 15.1 pt-20 43.06 -148.74 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 127.702 2.401 . . . . 0.0 115.286 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 29.0 m -136.36 168.07 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.043 1.737 . . . . 0.0 111.929 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.27 150.91 23.14 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.21 178.38 0.86 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.517 2.811 . . . . 0.0 116.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 31.8 m -63.89 153.08 37.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.9 1.68 . . . . 0.0 114.312 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -142.61 177.6 8.19 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.593 2.357 . . . . 0.0 110.17 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.4 mt -119.37 177.07 5.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.047 1.339 . . . . 0.0 112.942 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -51.68 139.19 21.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.04 1.736 . . . . 0.0 111.965 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 44.7 p 52.04 -0.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.825 2.85 . . . . 0.0 117.593 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -54.22 -46.81 72.61 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.789 1.236 . . . . 0.0 112.064 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -3.95 1.41 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.272 2.229 . . . . 0.0 114.725 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -124.54 1.22 8.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.627 1.171 . . . . 0.0 114.135 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.5 mmm -58.28 -23.26 55.67 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -81.72 -17.42 47.88 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.127 1.771 . . . . 0.0 113.647 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -63.31 -24.71 67.98 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 36.2 m -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.31 -57.03 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.789 2.993 . . . . 0.0 113.474 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.14 -35.85 15.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.54 1.136 . . . . 0.0 109.96 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -54.81 -33.27 61.36 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 128.19 2.596 . . . . 0.0 115.252 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 HG21 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.65 -27.31 67.57 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -52.31 -23.43 5.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.925 1.69 . . . . 0.0 114.205 175.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.96 -21.92 65.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.859 1.663 . . . . 0.0 113.26 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -69.27 133.95 48.55 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.672 0.789 . . . . 0.0 111.093 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.473 1.509 . . . . 0.0 111.371 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.864 0.705 . . . . 0.0 114.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 45.0 m 47.01 42.43 12.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.88 1.672 . . . . 0.0 113.416 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.02 -29.28 67.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.935 1.294 . . . . 0.0 113.845 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.88 -26.02 65.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.328 1.051 . . . . 0.0 112.428 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 34.1 m -78.44 52.96 1.21 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.807 1.643 . . . . 0.0 112.521 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.98 -10.12 26.87 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 25.1 m -75.07 -5.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 127.683 2.393 . . . . 0.0 112.316 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -126.67 76.55 74.47 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 126.679 1.992 . . . . 0.0 109.313 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -169.64 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.531 3.487 . . . . 0.0 112.836 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 49.1 m 60.91 49.81 5.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.69 1.596 . . . . 0.0 113.809 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -71.86 53.95 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.474 2.31 . . . . 0.0 112.175 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 84.2 mt -81.25 164.16 22.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.552 1.941 . . . . 0.0 114.28 -175.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.85 -179.89 8.57 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.559 2.343 . . . . 0.0 111.206 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 34.0 p -66.36 -23.63 66.37 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.2 m 44.35 67.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.78 2.032 . . . . 0.0 113.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -138.33 13.66 2.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.829 1.652 . . . . 0.0 114.274 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -124.84 2.13 8.11 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.408 ' CE1' HG21 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -32.37 69.74 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 13.3 mmt -80.03 -7.5 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.72 1.208 . . . . 0.0 114.046 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.43 161.84 29.78 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.176 1.39 . . . . 0.0 112.95 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 13.8 t -155.0 -29.18 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.911 1.284 . . . . 0.0 113.662 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.042 0 C-N-CA 124.807 1.243 . . . . 0.0 112.259 178.726 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -70.3 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.959 3.106 . . . . 0.0 112.807 -176.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.8 -31.32 70.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.082 0.953 . . . . 0.0 110.413 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -54.79 -32.45 60.2 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.644 1.977 . . . . 0.0 112.636 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.436 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.436 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.89 -44.18 97.47 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -59.4 -37.01 76.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.453 1.101 . . . . 0.0 112.937 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -71.72 -25.98 62.3 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.15 -23.54 47.68 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.288 1.035 . . . . 0.0 111.988 178.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.583 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 48.8 m -139.22 -15.08 1.12 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.389 1.476 . . . . 0.0 114.253 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.4 157.5 46.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.116 1.367 . . . . 0.0 112.256 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.6 ptm -83.26 -4.03 58.02 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 6.8 t -139.43 13.17 2.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.26 6.14 3.06 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.45 -16.0 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.225 1.81 . . . . 0.0 114.714 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.24 140.21 9.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.713 1.605 . . . . 0.0 112.067 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.35 -178.9 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.902 3.068 . . . . 0.0 115.805 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 22.6 t -78.42 143.44 36.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.333 1.053 . . . . 0.0 110.724 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.27 158.83 30.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.708 1.603 . . . . 0.0 112.579 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.31 151.05 38.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.342 1.857 . . . . 0.0 110.8 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -142.16 167.79 21.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.614 1.565 . . . . 0.0 111.798 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 55.4 p -137.5 -21.39 1.16 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.604 1.562 . . . . 0.0 113.272 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.9 p -68.27 -18.46 64.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.12 1.368 . . . . 0.0 114.119 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -66.43 1.45 1.65 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.736 2.015 . . . . 0.0 114.286 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.12 -0.4 12.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.212 1.405 . . . . 0.0 112.775 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.5 mmm -62.58 -17.46 60.12 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 16.4 mmt -65.96 -10.56 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.641 1.976 . . . . 0.0 113.08 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -137.14 152.31 49.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.442 2.297 . . . . 0.0 109.276 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 31.8 p -68.08 -41.94 81.16 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.67 -1.269 . . . . 0.0 110.706 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.478 0.947 0 C-N-CA 125.844 1.657 . . . . 0.0 112.114 179.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.04 -75.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.808 3.006 . . . . 0.0 112.516 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.72 -27.42 62.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 110.873 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.28 -27.31 68.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.933 1.293 . . . . 0.0 113.18 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.53 -38.58 87.48 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -53.08 -32.29 46.34 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.917 1.235 . . . . 0.0 113.53 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.84 -0.78 19.55 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.42 1.488 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -136.53 -39.61 0.65 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.362 1.465 . . . . 0.0 114.829 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 N--CA 1.476 0.825 0 C-N-CA 125.679 1.592 . . . . 0.0 111.767 176.625 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.551 0 N-CA-C 114.838 0.695 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 46.4 t -154.16 150.72 28.42 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.817 1.647 . . . . 0.0 111.515 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -65.15 -15.66 62.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.61 1.164 . . . . 0.0 113.57 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.98 -10.66 14.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.335 1.454 . . . . 0.0 114.581 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.5 p -71.38 -7.06 44.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.937 1.295 . . . . 0.0 114.417 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -136.66 167.68 20.96 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.372 1.869 . . . . 0.0 111.977 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.84 166.54 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.063 1.745 . . . . 0.0 111.439 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -153.01 136.17 9.77 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.146 1.379 . . . . 0.0 110.26 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.44 -47.08 28.9 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 124.39 3.393 . . . . 0.0 115.807 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 54.2 m 53.65 35.28 20.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.121 2.168 . . . . 0.0 114.249 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -74.01 66.62 1.21 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.621 1.969 . . . . 0.0 111.754 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.8 157.93 29.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.796 1.639 . . . . 0.0 113.007 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -114.52 29.47 7.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.293 1.437 . . . . 0.0 114.184 -172.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.0 t -141.92 147.34 36.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.545 1.138 . . . . 0.0 112.005 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 24.1 p -66.39 -26.57 67.31 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -63.37 -4.03 2.4 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.839 1.656 . . . . 0.0 115.042 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -115.76 2.76 13.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 113.505 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.1 mmm -60.05 -19.7 54.25 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.1 mmt -67.8 -6.14 19.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.255 2.222 . . . . 0.0 113.195 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -134.55 165.52 25.01 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.913 2.085 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 80.6 p -131.83 -26.98 1.93 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.158 1.783 . . . . 0.0 112.789 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.683 1.593 . . . . 0.0 111.203 179.074 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.66 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.046 3.164 . . . . 0.0 112.334 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.73 -28.59 66.95 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.577 0.751 . . . . 0.0 110.607 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.98 -36.52 72.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.424 0.69 . . . . 0.0 112.498 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.515 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.82 -45.64 77.66 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -64.61 -16.56 62.91 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.469 1.108 . . . . 0.0 113.941 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -132.09 27.65 4.51 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.376 1.871 . . . . 0.0 112.326 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 139.17 45.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.309 1.044 . . . . 0.0 113.471 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.651 1.58 . . . . 0.0 111.404 -177.143 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 77.3 p -49.61 -27.64 4.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.424 1.89 . . . . 0.0 114.985 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.44 -19.71 57.34 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.568 1.547 . . . . 0.0 113.793 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -28.29 0.97 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.004 1.321 . . . . 0.0 114.232 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.7 p -73.76 -26.34 60.6 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.745 1.157 . . . . 0.0 113.275 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.35 9.67 2.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.602 1.961 . . . . 0.0 112.793 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.74 33.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.506 2.722 . . . . 0.0 114.952 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -134.64 82.03 46.1 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.428 1.891 . . . . 0.0 110.477 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.67 178.28 6.5 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.424 2.75 . . . . 0.0 113.273 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 36.9 m 59.59 174.47 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.485 2.314 . . . . 0.0 115.55 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 -0.28 2.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.332 1.453 . . . . 0.0 114.566 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.44 159.25 42.61 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.733 2.013 . . . . 0.0 110.649 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -141.63 173.46 11.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.625 1.57 . . . . 0.0 111.597 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 5.1 m 49.72 61.91 2.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.334 1.854 . . . . 0.0 114.127 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 3.0 m -54.29 135.95 43.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.286 1.434 . . . . 0.0 112.482 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -157.46 -179.0 7.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.03 1.732 . . . . 0.0 109.739 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 61.85 -10.25 0.08 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.256 2.622 . . . . 0.0 116.649 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.463 ' CE1' HG21 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 5.4 mmm -56.16 -26.51 50.78 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.03 -8.84 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.694 1.198 . . . . 0.0 113.548 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -98.29 154.95 17.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 47.1 p -71.2 -31.15 67.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.421 1.088 . . . . 0.0 113.631 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.188 1.795 . . . . 0.0 111.916 -178.645 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.76 -63.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.903 3.069 . . . . 0.0 113.936 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -90.18 -20.36 23.16 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.186 0.994 . . . . 0.0 111.169 175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -54.29 -35.74 62.92 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.619 1.568 . . . . 0.0 112.465 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 32.3 t60 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.403 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.39 -51.26 30.98 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -55.56 -37.11 67.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.395 1.078 . . . . 0.0 113.151 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -73.91 -9.77 58.98 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.57 -24.15 9.39 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.449 1.5 . . . . 0.0 112.05 177.565 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.793 0.677 . . . . 0.0 114.793 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.4 p -68.89 -15.71 63.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.424 1.49 . . . . 0.0 114.482 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -136.52 158.54 44.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.245 1.818 . . . . 0.0 111.256 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -153.25 169.82 22.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.899 1.68 . . . . 0.0 111.898 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 25.9 m -60.63 157.96 13.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.011 1.324 . . . . 0.0 113.654 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.27 176.92 9.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.487 1.515 . . . . 0.0 111.854 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.84 -14.36 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -145.88 74.59 13.34 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.772 1.629 . . . . 0.0 110.792 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.21 -177.1 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.185 3.257 . . . . 0.0 112.525 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 20.5 t -66.07 163.87 16.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.082 0.953 . . . . 0.0 111.707 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.81 -8.86 12.03 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.04 151.61 45.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.257 2.623 . . . . 0.0 109.02 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -140.25 154.4 46.85 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.552 1.141 . . . . 0.0 111.056 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 61.6 p -79.72 -25.81 41.02 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.6 p 40.76 60.54 1.9 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.453 1.901 . . . . 0.0 113.669 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -138.77 7.95 2.54 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.306 1.442 . . . . 0.0 114.868 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -127.01 -1.52 6.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.2 mmm -59.74 -16.06 24.7 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -14.14 62.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.334 1.054 . . . . 0.0 111.788 173.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -103.43 140.27 37.69 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.631 1.972 . . . . 0.0 109.764 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.3 m -66.85 -25.66 66.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.799 1.239 . . . . 0.0 113.647 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.917 1.687 . . . . 0.0 110.877 179.266 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -69.25 -82.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.315 3.343 . . . . 0.0 112.681 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.18 -21.0 63.09 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.222 -0.924 . . . . 0.0 111.066 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.27 -39.52 69.91 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.134 1.373 . . . . 0.0 111.8 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.46 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.3 -27.75 66.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.45 -18.93 21.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.939 1.295 . . . . 0.0 114.321 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -108.44 -18.12 13.82 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.06 -39.57 78.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 126.955 2.102 . . . . 0.0 111.271 -177.056 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.36 0 N-CA-C 114.827 0.691 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 76.3 p -58.86 -14.28 8.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.187 1.795 . . . . 0.0 115.468 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -124.63 22.06 8.35 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.524 1.93 . . . . 0.0 110.928 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 94.4 mtp -133.13 -27.63 1.59 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.179 1.792 . . . . 0.0 113.042 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.0 p -56.96 153.87 10.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.892 1.277 . . . . 0.0 113.542 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.41 14.73 3.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.463 1.905 . . . . 0.0 115.98 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.56 -48.96 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.079 0.952 . . . . 0.0 113.379 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -150.12 65.86 7.6 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.844 2.058 . . . . 0.0 110.491 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.96 172.06 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 124.481 3.454 . . . . 0.0 118.419 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 48.0 t -155.44 156.0 34.53 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.624 1.57 . . . . 0.0 112.067 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.63 -6.65 45.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.256 1.422 . . . . 0.0 113.608 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.79 81.25 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.324 2.25 . . . . 0.0 110.692 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -131.84 160.15 36.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.511 1.524 . . . . 0.0 111.065 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 37.2 p -60.68 -12.61 10.88 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 44.1 p -66.24 -22.1 66.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.916 1.286 . . . . 0.0 113.679 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -55.98 -8.14 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.307 2.643 . . . . 0.0 117.156 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -122.66 -1.1 9.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 113.624 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm -58.88 -19.84 45.82 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 18.9 mmt -67.73 -13.01 61.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.939 2.096 . . . . 0.0 114.082 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -127.81 152.7 47.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 111.474 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 4.3 m -60.75 -35.27 75.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.578 1.151 . . . . 0.0 113.232 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 126.104 1.762 . . . . 0.0 111.416 -178.583 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 3' ' ' GLN . 72.3 Cg_endo -70.84 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 124.049 3.166 . . . . 0.0 112.245 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 2' ' ' PRO . 70.4 mt-30 -68.9 -23.7 64.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.118 0.967 . . . . 0.0 111.424 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.31 -29.43 67.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.908 0.883 . . . . 0.0 112.661 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.464 ' HZ3' ' CB ' ' A' ' 46' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.408 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.11 -43.14 99.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -60.73 -27.77 68.18 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.139 0.976 . . . . 0.0 112.765 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -82.24 -7.98 59.63 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.659 1.183 . . . . 0.0 113.844 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -102.04 -6.91 22.81 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.057 1.343 . . . . 0.0 113.668 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.604 1.562 . . . . 0.0 112.817 179.303 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.293 0 N-CA-C 114.015 0.366 . . . . 0.0 114.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 63.3 p -60.83 -23.14 64.87 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.947 1.299 . . . . 0.0 113.613 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -71.46 -12.04 61.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.109 1.764 . . . . 0.0 113.645 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 21.9 mmt 61.4 -178.62 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.991 2.117 . . . . 0.0 113.317 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 9.3 t -158.99 173.28 16.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 111.78 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -136.0 13.36 3.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.71 2.004 . . . . 0.0 112.51 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.9 p -150.99 156.12 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.703 2.001 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -140.66 129.12 12.73 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.541 1.536 . . . . 0.0 109.73 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.17 170.84 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.98 3.12 . . . . 0.0 117.733 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 98.7 p -162.76 -179.4 6.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.198 1.799 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 139.51 23.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.627 1.971 . . . . 0.0 109.344 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 79.7 mt -118.72 -1.42 11.1 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -140.34 158.02 44.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.074 1.35 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.3 p -69.16 -27.35 65.45 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.182 0.993 . . . . 0.0 113.266 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 21.7 p -148.66 169.01 21.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.026 2.13 . . . . 0.0 110.959 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 61.0 -14.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.322 2.649 . . . . 0.0 117.09 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -114.18 -0.17 14.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.859 1.664 . . . . 0.0 111.982 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.87 -33.56 70.62 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.14 -30.77 30.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.443 1.497 . . . . 0.0 112.833 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -58.25 -17.93 22.87 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.924 2.09 . . . . 0.0 115.317 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.7 t -66.33 -17.58 64.85 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.252 -0.905 . . . . 0.0 112.935 176.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.361 1.864 . . . . 0.0 112.431 177.693 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.2 -60.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.801 3.001 . . . . 0.0 113.351 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -89.98 -30.12 18.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.044 1.338 . . . . 0.0 110.505 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.7 -26.66 64.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.408 2.283 . . . . 0.0 115.099 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.5 -32.95 74.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -54.95 -27.58 44.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.437 1.495 . . . . 0.0 114.281 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -60.9 -21.32 63.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.294 1.438 . . . . 0.0 113.186 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -71.63 -14.14 61.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.869 1.268 . . . . 0.0 112.95 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 126.378 1.871 . . . . 0.0 110.797 -179.483 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.038 0.375 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 42.9 m 61.12 -178.78 0.11 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.368 1.867 . . . . 0.0 114.091 -178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -67.05 148.12 52.32 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.05 -1.031 . . . . 0.0 111.791 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 58.8 mtt -135.06 24.0 3.55 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.321 1.448 . . . . 0.0 112.708 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.5 p -144.14 174.25 11.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.463 1.505 . . . . 0.0 112.531 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -72.79 16.99 0.12 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.79 130.63 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.97 1.708 . . . . 0.0 110.076 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -160.07 157.47 25.23 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 126.594 1.958 . . . . 0.0 109.835 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -65.27 -179.65 1.2 Allowed 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.379 2.719 . . . . 0.0 114.785 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.3 m -74.64 29.06 0.09 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.95 2.1 . . . . 0.0 113.873 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -123.99 9.55 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.08 2.152 . . . . 0.0 113.414 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 20.4 tp -145.53 147.67 32.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.043 1.737 . . . . 0.0 109.549 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 54.14 20.17 2.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.852 1.661 . . . . 0.0 114.502 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 22.8 p -59.52 -51.51 69.56 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.54 -1.35 . . . . 0.0 113.729 -176.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 10.8 p -66.2 12.16 0.07 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -140.99 9.39 2.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.654 1.981 . . . . 0.0 111.474 171.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -128.78 -5.17 5.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.046 1.738 . . . . 0.0 113.826 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . 0.419 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm -55.07 -22.45 16.23 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 64.3 mtt -88.1 4.1 46.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.805 1.642 . . . . 0.0 113.762 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -143.28 155.31 44.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.0 t -145.95 11.91 1.24 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.574 1.549 . . . . 0.0 113.573 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 124.667 1.187 . . . . 0.0 113.615 -178.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 CA--C 1.554 1.105 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.22 -61.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.037 3.158 . . . . 0.0 114.212 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -90.03 -22.55 21.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.015 0.926 . . . . 0.0 110.611 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.77 -40.99 63.67 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.673 1.589 . . . . 0.0 112.671 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.479 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.16 -27.4 66.39 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -55.45 -22.71 21.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.118 1.767 . . . . 0.0 115.174 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -98.99 -0.94 41.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.06 1.744 . . . . 0.0 113.548 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -134.93 -15.06 2.04 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 126.096 1.759 . . . . 0.0 111.277 -177.096 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.524 0 N-CA-C 114.788 0.675 . . . . 0.0 114.788 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 26.6 m -63.79 -19.3 64.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.425 1.49 . . . . 0.0 114.775 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -140.62 154.92 46.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.911 1.684 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.4 ptp -157.56 170.86 21.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.144 1.377 . . . . 0.0 112.548 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.3 m -138.48 157.34 46.37 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 110.83 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -153.67 161.64 41.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.19 0.996 . . . . 0.0 113.562 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 48.3 35.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 127.678 2.391 . . . . 0.0 115.849 176.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -134.4 65.26 67.51 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.701 1.201 . . . . 0.0 112.649 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.42 179.99 5.64 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.826 3.017 . . . . 0.0 112.225 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 77.3 p -83.58 -27.52 29.2 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -156.91 130.76 8.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.609 1.964 . . . . 0.0 109.964 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.58 -120.54 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.787 1.635 . . . . 0.0 108.562 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 59.45 20.88 9.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.054 2.142 . . . . 0.0 115.793 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 71.5 p -134.48 39.87 3.02 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.682 1.593 . . . . 0.0 111.787 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.2 p -59.43 31.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 130.534 3.534 . . . . 0.0 118.234 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -150.1 -6.11 0.33 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.243 3.017 . . . . 0.0 111.853 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.8 -6.81 8.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.122 1.769 . . . . 0.0 111.694 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.3 mmm -56.97 -21.97 34.45 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.16 -12.07 60.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.614 1.966 . . . . 0.0 114.064 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -145.21 146.02 31.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.426 1.09 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 2.9 t -138.85 12.11 2.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.958 1.303 . . . . 0.0 113.225 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 125.499 1.52 . . . . 0.0 113.646 -179.316 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 49' ' ' LYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.546 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' B' ' 746' ' ' MET . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.418 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.5 mmm . . . . . 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 63' ' ' LEU . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.454 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 60' ' ' LEU . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 39' ' ' VAL . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.833 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.736 HG23 ' HE2' ' B' ' 746' ' ' MET . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 734' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 62' ' ' ALA . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.736 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.4 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' HD11 ' A' ' 60' ' ' LEU . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 58' ' ' LYS . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.661 ' HG2' HG22 ' A' ' 50' ' ' THR . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 60' ' ' LEU . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.485 HG22 ' CE1' ' B' ' 743' ' ' PHE . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.413 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.674 HG23 ' HE2' ' B' ' 746' ' ' MET . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 66' ' ' TYR . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 61' ' ' ILE . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.674 ' HE2' HG23 ' A' ' 84' ' ' ILE . 13.3 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 60' ' ' LEU . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.468 HG22 ' HG2' ' A' ' 58' ' ' LYS . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' HG22 ' A' ' 50' ' ' THR . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.5 HG22 ' CE1' ' B' ' 743' ' ' PHE . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 734' ' ' VAL . . . . . 0.416 HG11 ' HB1' ' A' ' 62' ' ' ALA . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' A' ' 61' ' ' ILE . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.9 mmm . . . . . 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.757 HG22 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.441 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm . . . . . 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 60' ' ' LEU . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 HG13 ' A' ' 39' ' ' VAL . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.409 HG22 ' CE1' ' B' ' 743' ' ' PHE . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' B' ' 737' ' ' ILE . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 82' ' ' LEU . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.409 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' HD11 ' A' ' 60' ' ' LEU . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 48' ' ' ARG . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' CE1' ' B' ' 743' ' ' PHE . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.499 HG23 ' HE1' ' B' ' 746' ' ' MET . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 66' ' ' TYR . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 84' ' ' ILE . 7.4 mmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 60' ' ' LEU . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 39' ' ' VAL . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' HA ' HG21 ' A' ' 84' ' ' ILE . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' B' ' 737' ' ' ILE . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.802 HG23 ' HE2' ' B' ' 746' ' ' MET . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 66' ' ' TYR . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 741' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 742' ' ' GLU . . . . . 0.419 ' H ' HG13 ' B' ' 741' ' ' VAL . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.802 ' HE2' HG23 ' A' ' 84' ' ' ILE . 3.0 mmm . . . . . 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 60' ' ' LEU . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' B' ' 743' ' ' PHE . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.67 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.67 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm . . . . . 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 61' ' ' ILE . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.902 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.902 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 118.717 -0.659 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 60' ' ' LEU . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.449 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.455 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.742 HG23 ' HE2' ' B' ' 746' ' ' MET . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 741' ' ' VAL . . . . . 0.444 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 742' ' ' GLU . . . . . 0.444 ' H ' HG13 ' B' ' 741' ' ' VAL . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.429 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.742 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm . . . . . 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 60' ' ' LEU . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' B' ' 737' ' ' ILE . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 738' ' ' VAL . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 738' ' ' VAL . . . . . 0.441 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 743' ' ' PHE . 3.1 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 61' ' ' ILE . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.861 HG22 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.421 HG23 ' HE2' ' B' ' 746' ' ' MET . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 741' ' ' VAL . . . . . 0.42 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 742' ' ' GLU . . . . . 0.42 ' H ' HG13 ' B' ' 741' ' ' VAL . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.861 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.421 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.4 mmm . . . . . 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 60' ' ' LEU . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 39' ' ' VAL . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 82' ' ' LEU . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 9.2 mmm . . . . . 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 HD11 ' A' ' 60' ' ' LEU . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG13 ' A' ' 39' ' ' VAL . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' B' ' 743' ' ' PHE . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 60' ' ' LEU . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.446 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.145 0.498 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 66' ' ' TYR . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm . . . . . 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 60' ' ' LEU . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 58' ' ' LYS . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HG2' HG22 ' A' ' 50' ' ' THR . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 39' ' ' VAL . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.525 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 66' ' ' TYR . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 741' ' ' VAL . . . . . 0.501 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 742' ' ' GLU . . . . . 0.501 ' H ' HG13 ' B' ' 741' ' ' VAL . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 743' ' ' PHE . . . . . 0.525 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 60' ' ' LEU . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 39' ' ' VAL . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.443 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.531 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' HE2' ' B' ' 746' ' ' MET . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.443 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 737' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 746' ' ' MET . . . . . 0.459 ' HE2' HG23 ' A' ' 84' ' ' ILE . 1.3 mmm . . . . . 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.85 -75.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.035 3.157 . . . . 0.0 112.795 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -75.4 -28.0 59.27 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.708 -0.62 . . . . 0.0 110.297 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -52.52 -40.78 62.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.057 1.743 . . . . 0.0 112.792 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 16.5 t60 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 49' ' ' LYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.546 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' B' ' 746' ' ' MET . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.42 -40.64 97.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -62.47 -19.19 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -74.51 -23.09 58.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.673 0.789 . . . . 0.0 113.003 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.93 157.49 36.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.439 1.096 . . . . 0.0 112.571 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.571 1.548 . . . . 0.0 111.49 -179.722 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 114.89 0.716 . . . . 0.0 114.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 15.7 t -153.39 169.19 23.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.886 1.675 . . . . 0.0 111.857 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -131.55 12.5 4.94 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.38 1.872 . . . . 0.0 112.531 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.62 176.79 9.57 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.923 1.689 . . . . 0.0 112.144 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 77.7 p -128.55 6.15 5.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.39 1.476 . . . . 0.0 114.885 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.84 125.06 22.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.332 1.453 . . . . 0.0 111.818 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.46 -30.96 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -174.3 156.34 2.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 127.554 2.342 . . . . 0.0 110.845 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.16 -175.35 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.879 3.053 . . . . 0.0 114.791 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.9 p -128.18 -9.28 5.32 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.469 1.508 . . . . 0.0 114.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -154.72 141.9 19.42 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.956 1.702 . . . . 0.0 110.817 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.63 152.67 30.26 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.184 1.794 . . . . 0.0 111.131 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -149.84 162.71 39.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.229 1.812 . . . . 0.0 110.78 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 33.3 p -72.95 -6.81 47.77 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.276 1.43 . . . . 0.0 113.844 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.4 p -76.27 56.81 1.08 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.856 2.062 . . . . 0.0 112.564 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -138.29 6.23 2.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.405 1.482 . . . . 0.0 114.385 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -125.04 -0.95 7.81 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.418 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.5 mmm -57.42 -31.47 65.91 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -76.78 -14.13 59.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.729 1.212 . . . . 0.0 113.81 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -92.7 -19.31 21.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.7 m 40.59 58.28 2.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.177 2.191 . . . . 0.0 115.367 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 126.401 1.88 . . . . 0.0 111.468 178.122 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.04 -79.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 124.115 3.21 . . . . 0.0 112.51 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.12 -27.38 66.41 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.885 0.874 . . . . 0.0 110.849 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.06 -34.61 63.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.003 1.721 . . . . 0.0 112.423 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 63' ' ' LEU . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.28 -45.3 92.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.94 -37.11 78.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.507 1.123 . . . . 0.0 112.926 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.29 -32.8 70.75 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.92 -34.75 44.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.635 1.174 . . . . 0.0 112.49 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.238 1.815 . . . . 0.0 112.743 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 N-CA-C 114.883 0.713 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 50.7 m -60.8 136.42 58.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.267 1.427 . . . . 0.0 112.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -143.12 158.54 43.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 0.0 111.036 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.11 167.38 30.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.508 1.523 . . . . 0.0 112.115 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.9 m -64.87 160.05 21.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.767 1.227 . . . . 0.0 112.767 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.62 144.52 56.94 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.272 1.029 . . . . 0.0 111.869 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.85 164.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.345 1.458 . . . . 0.0 112.712 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -141.94 72.86 23.26 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.351 1.46 . . . . 0.0 110.491 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.98 -176.51 2.42 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.395 3.397 . . . . 0.0 113.56 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 79.7 p -68.07 3.18 1.7 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.615 1.966 . . . . 0.0 115.764 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -137.53 146.91 44.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.273 1.829 . . . . 0.0 111.091 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 -161.13 1.18 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.991 2.116 . . . . 0.0 108.6 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -55.03 -16.92 3.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.722 -1.236 . . . . 0.0 114.138 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 25.2 p -71.02 -5.8 34.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.745 2.418 . . . . 0.0 114.388 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.5 p -52.74 -35.51 56.24 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 120.031 1.287 . . . . 0.0 114.199 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -64.87 -4.33 4.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.749 1.619 . . . . 0.0 114.253 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -117.69 3.55 12.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.095 1.358 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.47 -27.7 64.65 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 57.0 mtt -84.41 -11.49 56.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.542 1.937 . . . . 0.0 113.844 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.74 -33.19 69.97 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 5.1 t -78.5 -4.13 47.02 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.343 1.057 . . . . 0.0 113.22 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 126.166 1.786 . . . . 0.0 110.814 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.12 -61.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.619 2.879 . . . . 0.0 112.994 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -90.02 -28.03 19.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.631 1.172 . . . . 0.0 111.061 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.36 -39.39 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.038 0.935 . . . . 0.0 113.191 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 60' ' ' LEU . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 39' ' ' VAL . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.833 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.736 HG23 ' HE2' ' B' ' 746' ' ' MET . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.72 -43.2 76.47 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -67.65 -34.12 76.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.135 0.974 . . . . 0.0 112.859 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -95.63 7.97 44.75 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.068 1.347 . . . . 0.0 113.57 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -56.69 -30.35 63.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.63 1.572 . . . . 0.0 114.132 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 126.588 1.955 . . . . 0.0 113.928 177.879 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 20.3 m -57.19 -18.58 16.28 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.055 1.742 . . . . 0.0 114.894 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -72.4 -3.4 23.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.806 1.642 . . . . 0.0 114.066 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.1 ttt -138.57 153.13 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.579 1.552 . . . . 0.0 111.629 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 7.5 t -151.13 -178.45 6.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.833 1.653 . . . . 0.0 111.077 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.5 150.28 31.84 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.491 1.516 . . . . 0.0 112.508 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.13 152.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.516 1.126 . . . . 0.0 112.424 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -140.8 90.41 9.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.679 1.592 . . . . 0.0 109.336 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.64 177.98 6.85 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.757 2.971 . . . . 0.0 114.164 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 63.2 p -74.66 -16.66 60.76 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.751 1.62 . . . . 0.0 114.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -147.86 145.22 28.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.119 1.768 . . . . 0.0 111.667 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 15.6 tp -147.88 4.72 0.75 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -119.11 -4.62 10.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.426 . . . . 0.0 114.308 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 3.3 p -66.53 134.63 52.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.737 1.215 . . . . 0.0 112.471 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 p -65.21 -24.44 67.36 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -63.43 -2.31 1.49 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.066 1.746 . . . . 0.0 115.694 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -116.69 4.13 13.08 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.675 1.19 . . . . 0.0 113.213 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 734' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 62' ' ' ALA . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.736 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.4 mmm -55.03 -31.07 60.8 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.66 -18.68 65.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.682 1.593 . . . . 0.0 114.738 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 161.32 7.96 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.853 0.861 . . . . 0.0 111.049 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.4 m 71.81 -31.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.677 1.991 . . . . 0.0 113.757 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.928 2.091 . . . . 0.0 111.358 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.1 -62.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.751 2.967 . . . . 0.0 112.669 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -90.01 -26.66 20.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.743 0.817 . . . . 0.0 110.874 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.16 -39.4 69.47 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.446 0.698 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' HD11 ' A' ' 60' ' ' LEU . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 58' ' ' LYS . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.661 ' HG2' HG22 ' A' ' 50' ' ' THR . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 60' ' ' LEU . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.485 HG22 ' CE1' ' B' ' 743' ' ' PHE . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.413 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.674 HG23 ' HE2' ' B' ' 746' ' ' MET . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.69 -47.35 54.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -61.02 -36.9 80.75 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.146 0.885 . . . . 0.0 112.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -89.46 1.24 56.14 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.711 1.204 . . . . 0.0 113.748 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -64.48 -25.43 67.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.432 1.093 . . . . 0.0 113.647 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 C--O 1.241 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.31 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 N-CA-C 114.845 0.698 . . . . 0.0 114.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -69.76 -17.42 63.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.366 1.467 . . . . 0.0 114.621 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 55.18 30.69 14.99 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.21 1.804 . . . . 0.0 113.85 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.13 170.15 18.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.178 1.391 . . . . 0.0 112.675 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.1 m -141.13 155.15 46.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.749 1.62 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.63 18.99 3.9 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.828 1.251 . . . . 0.0 113.124 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.69 -14.5 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -156.56 138.88 10.34 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.841 1.656 . . . . 0.0 110.432 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -59.5 -179.79 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.914 3.076 . . . . 0.0 115.703 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 10.4 t -154.5 161.23 41.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.252 1.421 . . . . 0.0 112.019 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -154.85 163.52 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.807 2.043 . . . . 0.0 111.6 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 26.1 tp -149.73 151.97 34.51 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.734 1.214 . . . . 0.0 111.648 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -71.05 146.4 49.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.742 1.217 . . . . 0.0 112.258 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 53.5 p -128.04 -1.17 5.87 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.906 1.682 . . . . 0.0 112.768 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 720' ' ' THR . . . . . 0.445 HG22 ' H ' ' B' ' 722' ' ' ASN . 33.4 m -45.07 123.35 3.84 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.077 2.951 . . . . 0.0 113.856 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.48 7.05 27.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.865 2.066 . . . . 0.0 114.621 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 722' ' ' ASN . . . . . 0.445 ' H ' HG22 ' B' ' 720' ' ' THR . 14.6 m120 -113.01 4.33 16.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.766 1.226 . . . . 0.0 113.18 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 66' ' ' TYR . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 61' ' ' ILE . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.674 ' HE2' HG23 ' A' ' 84' ' ' ILE . 13.3 mmm -58.96 -25.66 63.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 20.0 ptp -101.32 -15.03 17.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 114.763 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.89 -16.86 32.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.539 1.536 . . . . 0.0 113.595 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 53.3 p -63.49 -31.83 73.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.884 1.674 . . . . 0.0 112.666 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.78 1.632 . . . . 0.0 111.252 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 -83.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.243 3.296 . . . . 0.0 112.423 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.01 -25.51 67.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.79 0.836 . . . . 0.0 111.215 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.96 -36.99 30.13 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.888 1.675 . . . . 0.0 112.717 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 60' ' ' LEU . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.468 HG22 ' HG2' ' A' ' 58' ' ' LYS . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' HG22 ' A' ' 50' ' ' THR . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.5 HG22 ' CE1' ' B' ' 743' ' ' PHE . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -70.99 -39.63 72.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -50.83 -29.7 12.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.406 1.482 . . . . 0.0 114.542 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -61.11 -13.28 16.21 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.613 1.965 . . . . 0.0 113.531 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -123.67 -6.63 8.02 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.595 1.958 . . . . 0.0 113.284 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 125.75 1.62 . . . . 0.0 111.057 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 CA-C-O 121.187 0.326 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 17.2 m -56.14 -15.1 3.22 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -131.0 16.36 5.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 113.533 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -62.17 151.12 36.85 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.281 -0.887 . . . . 0.0 112.967 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.6 p -73.05 -14.14 61.35 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.66 -5.38 29.1 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.6 m -75.84 -2.81 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.946 1.298 . . . . 0.0 112.598 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 63.9 m80 50.99 62.85 10.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.813 2.045 . . . . 0.0 114.006 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.23 -170.11 0.75 Allowed 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.25 3.3 . . . . 0.0 111.096 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.4 p -59.13 -26.79 65.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 46.49 38.02 5.0 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.633 1.973 . . . . 0.0 113.183 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.84 142.72 52.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.111 0.964 . . . . 0.0 112.683 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -147.91 23.23 1.09 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.383 1.473 . . . . 0.0 114.423 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 27.6 p -60.97 156.45 17.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.145 1.778 . . . . 0.0 113.692 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 p -59.39 -29.69 67.9 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.25 -1.07 2.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.211 1.804 . . . . 0.0 114.675 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -114.01 -1.16 13.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.942 1.297 . . . . 0.0 113.127 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 734' ' ' VAL . . . . . 0.416 HG11 ' HB1' ' A' ' 62' ' ' ALA . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' A' ' 61' ' ' ILE . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.9 mmm -55.68 -25.67 40.86 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 9.5 mtt -100.8 -1.37 35.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.159 1.784 . . . . 0.0 113.938 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -59.88 -14.96 17.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 6.9 m -58.01 -29.78 65.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.214 1.406 . . . . 0.0 112.982 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.38 1.872 . . . . 0.0 112.879 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.34 -75.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.99 3.126 . . . . 0.0 112.424 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -71.57 -30.24 65.62 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.667 -0.646 . . . . 0.0 110.287 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.38 -39.24 72.62 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.744 0.818 . . . . 0.0 112.495 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.757 HG22 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.405 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.98 -42.77 76.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.292 0.0 OUTLIER 27.41 45.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 128.777 2.831 . . . . 0.0 117.526 176.446 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 55.64 26.5 9.32 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.52 3.128 . . . . 0.0 114.815 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -39.22 93.49 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.944 1.698 . . . . 0.0 114.232 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.727 2.011 . . . . 0.0 112.739 -179.164 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.857 0.703 . . . . 0.0 114.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 24.1 m 57.5 18.62 4.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.765 2.026 . . . . 0.0 115.852 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -151.51 172.86 15.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.493 1.517 . . . . 0.0 111.911 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 24.6 mmt -137.89 163.8 30.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.957 1.703 . . . . 0.0 111.196 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 78.3 p -152.44 173.54 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.487 1.515 . . . . 0.0 112.015 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.66 50.26 0.24 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.823 2.049 . . . . 0.0 114.644 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.98 -11.97 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.125 1.77 . . . . 0.0 115.283 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -153.79 140.8 13.19 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.896 2.078 . . . . 0.0 108.797 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.25 -48.73 20.25 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.061 3.174 . . . . 0.0 115.61 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 41.0 m 61.03 3.32 0.66 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.124 2.57 . . . . 0.0 116.287 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.97 164.81 18.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.487 2.315 . . . . 0.0 110.444 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.18 149.14 38.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.464 1.106 . . . . 0.0 111.533 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.21 6.04 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.336 1.454 . . . . 0.0 114.372 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 10.3 t -150.79 -175.28 5.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.428 1.891 . . . . 0.0 111.065 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.4 p 97.4 -16.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 C-N-CA 132.781 4.433 . . . . 0.0 113.986 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.33 0.67 0.16 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.379 2.272 . . . . 0.0 116.575 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -120.51 -0.37 10.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.443 1.497 . . . . 0.0 112.725 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm -56.71 -27.44 59.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -79.02 1.52 23.67 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.512 1.525 . . . . 0.0 113.594 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -115.92 0.26 13.03 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.2 m -59.23 -38.37 79.82 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.235 1.379 . . . . 0.0 113.363 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 125.71 1.604 . . . . 0.0 110.706 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 CA--C 1.55 0.977 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.6 -65.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.896 3.064 . . . . 0.0 113.341 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -90.12 -21.12 22.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 111.223 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.48 -35.33 60.47 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.513 1.525 . . . . 0.0 112.148 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 60' ' ' LEU . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 HG13 ' A' ' 39' ' ' VAL . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.409 HG22 ' CE1' ' B' ' 743' ' ' PHE . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' B' ' 737' ' ' ILE . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 82' ' ' LEU . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.64 -47.13 76.63 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -67.39 -45.81 75.14 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.328 1.051 . . . . 0.0 112.9 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.51 -30.5 71.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.7 -8.81 59.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.359 1.064 . . . . 0.0 113.044 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 126.33 1.852 . . . . 0.0 110.358 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 19.9 m -58.78 -33.96 70.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.28 1.432 . . . . 0.0 114.252 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -158.74 -175.7 5.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.895 1.678 . . . . 0.0 110.856 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -50.76 -12.41 0.1 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 88.8 p -68.72 -14.59 63.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.182 1.355 . . . . 0.0 112.92 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -138.56 -174.67 3.88 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.626 2.771 . . . . 0.0 109.98 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.29 104.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.373 1.069 . . . . 0.0 110.061 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -146.37 71.82 13.05 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.518 1.527 . . . . 0.0 110.667 -176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.12 178.78 6.11 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.066 3.178 . . . . 0.0 113.875 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 44.5 p -69.53 170.22 11.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 113.207 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -121.36 170.48 9.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.872 2.069 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.42 167.04 23.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.928 1.691 . . . . 0.0 112.747 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -143.87 148.7 35.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.041 1.736 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.8 p -72.83 162.99 28.81 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.606 0.762 . . . . 0.0 111.554 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.9 p -62.75 -7.73 5.48 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -113.27 3.26 15.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.577 1.951 . . . . 0.0 112.315 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -126.37 4.03 6.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.001 1.72 . . . . 0.0 112.706 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.409 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm -54.44 -34.17 60.94 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 66.4 mtm -98.58 1.1 46.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.61 -37.4 75.79 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.551 1.069 . . . . 0.0 112.881 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 26.0 m -69.62 -22.67 63.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.504 1.522 . . . . 0.0 113.077 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 126.52 1.928 . . . . 0.0 111.201 -177.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.77 -62.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.903 3.069 . . . . 0.0 113.162 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -90.13 -27.03 19.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.496 1.118 . . . . 0.0 111.079 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.29 -36.86 44.36 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.392 1.877 . . . . 0.0 113.701 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' HD11 ' A' ' 60' ' ' LEU . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 48' ' ' ARG . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' CE1' ' B' ' 743' ' ' PHE . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.499 HG23 ' HE1' ' B' ' 746' ' ' MET . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.7 -42.49 93.13 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -74.92 -31.36 61.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.547 1.139 . . . . 0.0 113.73 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -81.17 -35.31 31.59 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -73.47 155.48 39.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.742 0.817 . . . . 0.0 112.06 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.496 . . . . 0.0 111.332 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 27.2 m -65.72 -21.33 66.52 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.2 m80 56.95 -177.86 0.05 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.476 1.911 . . . . 0.0 114.395 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 55.6 ttm -132.64 -0.54 3.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.799 1.64 . . . . 0.0 112.331 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.6 p -59.48 -5.15 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.09 17.51 1.09 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 8.0 m -38.52 127.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.927 1.691 . . . . 0.0 115.172 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -145.45 61.86 8.15 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.288 1.435 . . . . 0.0 113.404 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.43 -179.43 3.64 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.49 2.793 . . . . 0.0 113.14 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 83.8 p -138.25 10.65 2.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.544 1.538 . . . . 0.0 114.793 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -140.66 179.72 6.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.713 2.005 . . . . 0.0 110.996 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.19 2.14 0.62 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -76.46 -4.18 41.19 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.2 m -51.69 139.42 21.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.435 1.494 . . . . 0.0 113.234 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.7 p -57.87 112.31 1.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.451 1.9 . . . . 0.0 113.579 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -146.23 5.05 0.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.731 1.612 . . . . 0.0 115.025 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -122.63 0.91 9.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.444 1.098 . . . . 0.0 113.678 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 66' ' ' TYR . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 84' ' ' ILE . 7.4 mmm -55.63 -21.45 17.86 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 61.2 mtm -102.7 0.36 32.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.477 1.911 . . . . 0.0 113.883 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -69.36 147.5 50.98 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.206 -0.934 . . . . 0.0 112.207 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 10.5 m -59.79 -30.84 69.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.498 1.519 . . . . 0.0 113.755 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.065 1.746 . . . . 0.0 110.376 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.49 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.856 3.037 . . . . 0.0 112.303 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -69.8 -27.66 65.09 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.64 -42.47 83.49 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.605 -0.684 . . . . 0.0 111.936 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.37 -43.23 77.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -65.96 -28.96 69.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.901 1.28 . . . . 0.0 113.521 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -79.83 -4.55 52.66 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.17 149.02 42.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.409 1.004 . . . . 0.0 112.371 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 112.11 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 N-CA-C 114.721 0.648 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 18.0 m -58.21 -13.25 4.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.33 1.852 . . . . 0.0 115.88 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -127.6 14.75 7.05 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.772 1.629 . . . . 0.0 112.564 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.37 145.33 55.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.694 1.198 . . . . 0.0 112.574 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.1 p -154.44 172.64 17.43 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.717 1.607 . . . . 0.0 111.719 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.91 163.67 11.61 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.93 0.872 . . . . 0.0 113.343 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.7 m -63.35 -17.56 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 68.9 m80 29.03 65.59 0.71 Allowed Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 127.606 2.362 . . . . 0.0 115.452 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.83 179.13 5.57 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.042 3.162 . . . . 0.0 114.366 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.6 m -70.8 55.65 0.18 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.004 2.522 . . . . 0.0 114.234 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -122.07 22.3 10.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 113.338 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.3 tp -139.4 113.32 8.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.931 1.692 . . . . 0.0 110.29 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -138.72 4.69 2.35 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.105 1.362 . . . . 0.0 114.58 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 19.5 p -66.92 -20.67 65.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.789 -1.194 . . . . 0.0 113.951 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 103.27 2.87 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.165 1.786 . . . . 0.0 107.679 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -148.69 13.15 0.91 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.59 -11.41 7.3 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -21.05 50.52 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.64 5.07 41.38 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.031 1.732 . . . . 0.0 113.101 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -113.16 167.6 10.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.398 1.479 . . . . 0.0 112.663 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 35.2 p -75.42 -37.33 60.49 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.637 1.175 . . . . 0.0 112.194 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.318 1.847 . . . . 0.0 111.581 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -59.33 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.624 2.883 . . . . 0.0 112.385 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -90.13 -27.5 19.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.593 1.157 . . . . 0.0 110.616 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.43 -23.96 66.37 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 60' ' ' LEU . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 39' ' ' VAL . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' HA ' HG21 ' A' ' 84' ' ' ILE . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' B' ' 737' ' ' ILE . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.802 HG23 ' HE2' ' B' ' 746' ' ' MET . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.41 -44.27 79.2 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -69.07 -36.13 77.28 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.302 1.041 . . . . 0.0 112.727 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -71.11 -8.37 52.95 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -66.56 -14.02 61.79 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.923 1.238 . . . . 0.0 114.243 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.471 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 111.694 -179.656 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.7 p -69.14 -17.33 63.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.473 1.509 . . . . 0.0 114.505 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -154.13 173.71 15.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.301 1.84 . . . . 0.0 111.803 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -148.37 168.63 22.12 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.75 1.62 . . . . 0.0 111.421 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -134.9 1.42 3.02 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.75 20.56 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.159 1.383 . . . . 0.0 113.909 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.8 130.39 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.069 1.748 . . . . 0.0 111.618 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -152.26 134.7 8.83 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.335 1.454 . . . . 0.0 110.331 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -58.9 177.43 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.587 2.858 . . . . 0.0 116.081 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 11.6 t -159.74 159.15 32.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.188 1.795 . . . . 0.0 110.801 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -76.1 124.72 27.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.264 1.026 . . . . 0.0 110.727 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.14 40.01 1.13 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.039 1.336 . . . . 0.0 111.033 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -126.94 18.08 7.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.776 1.63 . . . . 0.0 112.37 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 45.7 p -138.93 147.49 42.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.398 1.879 . . . . 0.0 110.114 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 15.5 p -54.43 -47.8 72.42 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.306 1.042 . . . . 0.0 113.707 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.97 -8.63 0.66 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.3 2.24 . . . . 0.0 115.695 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.17 -2.51 9.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.926 1.29 . . . . 0.0 113.455 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 66' ' ' TYR . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 741' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 742' ' ' GLU . . . . . 0.419 ' H ' HG13 ' B' ' 741' ' ' VAL . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.802 ' HE2' HG23 ' A' ' 84' ' ' ILE . 3.0 mmm -56.26 -23.36 35.8 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -72.02 -17.55 62.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.117 1.767 . . . . 0.0 113.386 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.74 140.88 58.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.972 0.909 . . . . 0.0 112.498 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 76.8 p -111.24 -32.89 6.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 113.518 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 126.118 1.767 . . . . 0.0 112.482 -179.328 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.48 -70.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.884 3.056 . . . . 0.0 112.268 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -72.94 -29.27 62.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.926 0.89 . . . . 0.0 110.066 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -60.05 -37.6 80.32 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 60' ' ' LEU . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' B' ' 743' ' ' PHE . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.67 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.73 -39.7 35.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -60.9 -31.79 71.28 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.768 1.167 . . . . 0.0 113.472 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.42 4.78 17.0 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -138.73 174.98 9.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.29 1.036 . . . . 0.0 113.676 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 124.691 1.196 . . . . 0.0 112.346 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 N-CA-C 114.88 0.712 . . . . 0.0 114.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 23.1 t -153.49 167.06 30.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 111.841 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -136.11 8.59 3.21 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.77 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.7 mtp -66.14 156.78 32.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.553 1.141 . . . . 0.0 112.62 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 48.0 p -71.49 -12.82 61.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . 0.272 15.1 pt-20 43.06 -148.74 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 127.702 2.401 . . . . 0.0 115.286 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 29.0 m -136.36 168.07 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.043 1.737 . . . . 0.0 111.929 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 713' ' ' HIS . . . . . 0.401 ' CD2' HH12 ' B' ' 716' ' ' ARG . 0.1 OUTLIER -154.27 150.91 23.14 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 178.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.21 178.38 0.86 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.517 2.811 . . . . 0.0 116.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 31.8 m -63.89 153.08 37.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.9 1.68 . . . . 0.0 114.312 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 716' ' ' ARG . . . . . 0.401 HH12 ' CD2' ' B' ' 713' ' ' HIS . 96.5 mtm-85 -142.61 177.6 8.19 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.593 2.357 . . . . 0.0 110.17 176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.4 mt -119.37 177.07 5.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.047 1.339 . . . . 0.0 112.942 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -51.68 139.19 21.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.04 1.736 . . . . 0.0 111.965 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 44.7 p 52.04 -0.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.825 2.85 . . . . 0.0 117.593 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -54.22 -46.81 72.61 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.789 1.236 . . . . 0.0 112.064 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -3.95 1.41 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.272 2.229 . . . . 0.0 114.725 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -124.54 1.22 8.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.627 1.171 . . . . 0.0 114.135 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.67 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm -58.28 -23.26 55.67 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -81.72 -17.42 47.88 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.127 1.771 . . . . 0.0 113.647 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -63.31 -24.71 67.98 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 36.2 m -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.31 -57.03 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.789 2.993 . . . . 0.0 113.474 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.14 -35.85 15.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.54 1.136 . . . . 0.0 109.96 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -54.81 -33.27 61.36 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 128.19 2.596 . . . . 0.0 115.252 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.518 HG23 ' HE2' ' B' ' 747' ' ' MET . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.902 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.65 -27.31 67.57 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -52.31 -23.43 5.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.925 1.69 . . . . 0.0 114.205 175.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.96 -21.92 65.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.859 1.663 . . . . 0.0 113.26 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -69.27 133.95 48.55 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.672 0.789 . . . . 0.0 111.093 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.473 1.509 . . . . 0.0 111.371 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.864 0.705 . . . . 0.0 114.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 45.0 m 47.01 42.43 12.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.88 1.672 . . . . 0.0 113.416 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.02 -29.28 67.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.935 1.294 . . . . 0.0 113.845 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.88 -26.02 65.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.328 1.051 . . . . 0.0 112.428 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 34.1 m -78.44 52.96 1.21 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.807 1.643 . . . . 0.0 112.521 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.98 -10.12 26.87 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 25.1 m -75.07 -5.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 127.683 2.393 . . . . 0.0 112.316 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -126.67 76.55 74.47 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 126.679 1.992 . . . . 0.0 109.313 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -169.64 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.531 3.487 . . . . 0.0 112.836 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 49.1 m 60.91 49.81 5.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.69 1.596 . . . . 0.0 113.809 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -71.86 53.95 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.474 2.31 . . . . 0.0 112.175 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 84.2 mt -81.25 164.16 22.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.552 1.941 . . . . 0.0 114.28 -175.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.85 -179.89 8.57 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.559 2.343 . . . . 0.0 111.206 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 34.0 p -66.36 -23.63 66.37 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.2 m 44.35 67.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.78 2.032 . . . . 0.0 113.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -138.33 13.66 2.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.829 1.652 . . . . 0.0 114.274 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -124.84 2.13 8.11 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.902 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -32.37 69.74 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 747' ' ' MET . . . . . 0.518 ' HE2' HG23 ' A' ' 50' ' ' THR . 13.3 mmt -80.03 -7.5 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.72 1.208 . . . . 0.0 114.046 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.43 161.84 29.78 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.176 1.39 . . . . 0.0 112.95 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 13.8 t -155.0 -29.18 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.911 1.284 . . . . 0.0 113.662 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.042 0 C-N-CA 124.807 1.243 . . . . 0.0 112.259 178.726 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -70.3 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.959 3.106 . . . . 0.0 112.807 -176.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.8 -31.32 70.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.082 0.953 . . . . 0.0 110.413 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -54.79 -32.45 60.2 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.644 1.977 . . . . 0.0 112.636 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 60' ' ' LEU . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.449 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.742 HG23 ' HE2' ' B' ' 746' ' ' MET . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.89 -44.18 97.47 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -59.4 -37.01 76.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.453 1.101 . . . . 0.0 112.937 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -71.72 -25.98 62.3 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.15 -23.54 47.68 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.288 1.035 . . . . 0.0 111.988 178.897 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.583 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 48.8 m -139.22 -15.08 1.12 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.389 1.476 . . . . 0.0 114.253 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.4 157.5 46.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.116 1.367 . . . . 0.0 112.256 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.6 ptm -83.26 -4.03 58.02 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 6.8 t -139.43 13.17 2.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.26 6.14 3.06 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.45 -16.0 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.225 1.81 . . . . 0.0 114.714 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.24 140.21 9.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.713 1.605 . . . . 0.0 112.067 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.35 -178.9 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.902 3.068 . . . . 0.0 115.805 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 22.6 t -78.42 143.44 36.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.333 1.053 . . . . 0.0 110.724 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.27 158.83 30.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.708 1.603 . . . . 0.0 112.579 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.31 151.05 38.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.342 1.857 . . . . 0.0 110.8 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -142.16 167.79 21.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.614 1.565 . . . . 0.0 111.798 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 55.4 p -137.5 -21.39 1.16 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.604 1.562 . . . . 0.0 113.272 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.9 p -68.27 -18.46 64.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.12 1.368 . . . . 0.0 114.119 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -66.43 1.45 1.65 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.736 2.015 . . . . 0.0 114.286 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.12 -0.4 12.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.212 1.405 . . . . 0.0 112.775 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 741' ' ' VAL . . . . . 0.444 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 742' ' ' GLU . . . . . 0.444 ' H ' HG13 ' B' ' 741' ' ' VAL . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.429 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.742 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm -62.58 -17.46 60.12 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 16.4 mmt -65.96 -10.56 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.641 1.976 . . . . 0.0 113.08 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -137.14 152.31 49.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.442 2.297 . . . . 0.0 109.276 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 31.8 p -68.08 -41.94 81.16 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.67 -1.269 . . . . 0.0 110.706 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.478 0.947 0 C-N-CA 125.844 1.657 . . . . 0.0 112.114 179.154 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.04 -75.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.808 3.006 . . . . 0.0 112.516 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.72 -27.42 62.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 110.873 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.28 -27.31 68.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.933 1.293 . . . . 0.0 113.18 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 60' ' ' LEU . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' B' ' 737' ' ' ILE . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 738' ' ' VAL . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.53 -38.58 87.48 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -53.08 -32.29 46.34 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.917 1.235 . . . . 0.0 113.53 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.84 -0.78 19.55 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.42 1.488 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -136.53 -39.61 0.65 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.362 1.465 . . . . 0.0 114.829 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 N--CA 1.476 0.825 0 C-N-CA 125.679 1.592 . . . . 0.0 111.767 176.625 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.551 0 N-CA-C 114.838 0.695 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 46.4 t -154.16 150.72 28.42 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.817 1.647 . . . . 0.0 111.515 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -65.15 -15.66 62.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.61 1.164 . . . . 0.0 113.57 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.98 -10.66 14.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.335 1.454 . . . . 0.0 114.581 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.5 p -71.38 -7.06 44.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.937 1.295 . . . . 0.0 114.417 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -136.66 167.68 20.96 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.372 1.869 . . . . 0.0 111.977 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.84 166.54 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.063 1.745 . . . . 0.0 111.439 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -153.01 136.17 9.77 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.146 1.379 . . . . 0.0 110.26 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.44 -47.08 28.9 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 124.39 3.393 . . . . 0.0 115.807 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 54.2 m 53.65 35.28 20.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.121 2.168 . . . . 0.0 114.249 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -74.01 66.62 1.21 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.621 1.969 . . . . 0.0 111.754 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.8 157.93 29.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.796 1.639 . . . . 0.0 113.007 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -114.52 29.47 7.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.293 1.437 . . . . 0.0 114.184 -172.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.0 t -141.92 147.34 36.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.545 1.138 . . . . 0.0 112.005 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 24.1 p -66.39 -26.57 67.31 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -63.37 -4.03 2.4 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.839 1.656 . . . . 0.0 115.042 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -115.76 2.76 13.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 113.505 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 738' ' ' VAL . . . . . 0.441 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 743' ' ' PHE . 3.1 mmm -60.05 -19.7 54.25 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.1 mmt -67.8 -6.14 19.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.255 2.222 . . . . 0.0 113.195 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -134.55 165.52 25.01 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.913 2.085 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 80.6 p -131.83 -26.98 1.93 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.158 1.783 . . . . 0.0 112.789 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.683 1.593 . . . . 0.0 111.203 179.074 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.66 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.046 3.164 . . . . 0.0 112.334 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.73 -28.59 66.95 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.577 0.751 . . . . 0.0 110.607 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.98 -36.52 72.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.424 0.69 . . . . 0.0 112.498 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 61' ' ' ILE . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.861 HG22 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.421 HG23 ' HE2' ' B' ' 746' ' ' MET . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.82 -45.64 77.66 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -64.61 -16.56 62.91 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.469 1.108 . . . . 0.0 113.941 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -132.09 27.65 4.51 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.376 1.871 . . . . 0.0 112.326 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 139.17 45.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.309 1.044 . . . . 0.0 113.471 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.651 1.58 . . . . 0.0 111.404 -177.143 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 77.3 p -49.61 -27.64 4.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.424 1.89 . . . . 0.0 114.985 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.44 -19.71 57.34 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.568 1.547 . . . . 0.0 113.793 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -28.29 0.97 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.004 1.321 . . . . 0.0 114.232 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.7 p -73.76 -26.34 60.6 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.745 1.157 . . . . 0.0 113.275 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.35 9.67 2.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.602 1.961 . . . . 0.0 112.793 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.74 33.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.506 2.722 . . . . 0.0 114.952 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -134.64 82.03 46.1 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.428 1.891 . . . . 0.0 110.477 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.67 178.28 6.5 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.424 2.75 . . . . 0.0 113.273 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 36.9 m 59.59 174.47 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.485 2.314 . . . . 0.0 115.55 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 -0.28 2.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.332 1.453 . . . . 0.0 114.566 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.44 159.25 42.61 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.733 2.013 . . . . 0.0 110.649 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -141.63 173.46 11.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.625 1.57 . . . . 0.0 111.597 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 5.1 m 49.72 61.91 2.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.334 1.854 . . . . 0.0 114.127 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 3.0 m -54.29 135.95 43.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.286 1.434 . . . . 0.0 112.482 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -157.46 -179.0 7.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.03 1.732 . . . . 0.0 109.739 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 61.85 -10.25 0.08 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.256 2.622 . . . . 0.0 116.649 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 741' ' ' VAL . . . . . 0.42 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 742' ' ' GLU . . . . . 0.42 ' H ' HG13 ' B' ' 741' ' ' VAL . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.861 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.421 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.4 mmm -56.16 -26.51 50.78 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.03 -8.84 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.694 1.198 . . . . 0.0 113.548 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -98.29 154.95 17.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 47.1 p -71.2 -31.15 67.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.421 1.088 . . . . 0.0 113.631 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.188 1.795 . . . . 0.0 111.916 -178.645 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.76 -63.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.903 3.069 . . . . 0.0 113.936 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -90.18 -20.36 23.16 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.186 0.994 . . . . 0.0 111.169 175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -54.29 -35.74 62.92 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.619 1.568 . . . . 0.0 112.465 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 60' ' ' LEU . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 32.3 t60 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 39' ' ' VAL . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 82' ' ' LEU . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.39 -51.26 30.98 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -55.56 -37.11 67.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.395 1.078 . . . . 0.0 113.151 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -73.91 -9.77 58.98 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.57 -24.15 9.39 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.449 1.5 . . . . 0.0 112.05 177.565 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.793 0.677 . . . . 0.0 114.793 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.4 p -68.89 -15.71 63.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.424 1.49 . . . . 0.0 114.482 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -136.52 158.54 44.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.245 1.818 . . . . 0.0 111.256 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -153.25 169.82 22.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.899 1.68 . . . . 0.0 111.898 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 25.9 m -60.63 157.96 13.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.011 1.324 . . . . 0.0 113.654 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.27 176.92 9.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.487 1.515 . . . . 0.0 111.854 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.84 -14.36 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -145.88 74.59 13.34 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.772 1.629 . . . . 0.0 110.792 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.21 -177.1 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.185 3.257 . . . . 0.0 112.525 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 20.5 t -66.07 163.87 16.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.082 0.953 . . . . 0.0 111.707 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.81 -8.86 12.03 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.04 151.61 45.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.257 2.623 . . . . 0.0 109.02 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -140.25 154.4 46.85 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.552 1.141 . . . . 0.0 111.056 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 61.6 p -79.72 -25.81 41.02 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.6 p 40.76 60.54 1.9 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.453 1.901 . . . . 0.0 113.669 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -138.77 7.95 2.54 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.306 1.442 . . . . 0.0 114.868 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -127.01 -1.52 6.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 9.2 mmm -59.74 -16.06 24.7 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -14.14 62.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.334 1.054 . . . . 0.0 111.788 173.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -103.43 140.27 37.69 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.631 1.972 . . . . 0.0 109.764 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.3 m -66.85 -25.66 66.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.799 1.239 . . . . 0.0 113.647 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.917 1.687 . . . . 0.0 110.877 179.266 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -69.25 -82.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.315 3.343 . . . . 0.0 112.681 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.18 -21.0 63.09 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.222 -0.924 . . . . 0.0 111.066 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.27 -39.52 69.91 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.134 1.373 . . . . 0.0 111.8 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 HD11 ' A' ' 60' ' ' LEU . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG13 ' A' ' 39' ' ' VAL . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' B' ' 743' ' ' PHE . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.3 -27.75 66.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.45 -18.93 21.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.939 1.295 . . . . 0.0 114.321 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -108.44 -18.12 13.82 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.06 -39.57 78.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 126.955 2.102 . . . . 0.0 111.271 -177.056 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.36 0 N-CA-C 114.827 0.691 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 76.3 p -58.86 -14.28 8.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.187 1.795 . . . . 0.0 115.468 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -124.63 22.06 8.35 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.524 1.93 . . . . 0.0 110.928 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 94.4 mtp -133.13 -27.63 1.59 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.179 1.792 . . . . 0.0 113.042 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.0 p -56.96 153.87 10.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.892 1.277 . . . . 0.0 113.542 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.41 14.73 3.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.463 1.905 . . . . 0.0 115.98 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.56 -48.96 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.079 0.952 . . . . 0.0 113.379 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -150.12 65.86 7.6 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.844 2.058 . . . . 0.0 110.491 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.96 172.06 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 124.481 3.454 . . . . 0.0 118.419 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 48.0 t -155.44 156.0 34.53 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.624 1.57 . . . . 0.0 112.067 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.63 -6.65 45.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.256 1.422 . . . . 0.0 113.608 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.79 81.25 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.324 2.25 . . . . 0.0 110.692 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -131.84 160.15 36.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.511 1.524 . . . . 0.0 111.065 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 37.2 p -60.68 -12.61 10.88 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 44.1 p -66.24 -22.1 66.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.916 1.286 . . . . 0.0 113.679 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -55.98 -8.14 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.307 2.643 . . . . 0.0 117.156 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -122.66 -1.1 9.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 113.624 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm -58.88 -19.84 45.82 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 18.9 mmt -67.73 -13.01 61.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.939 2.096 . . . . 0.0 114.082 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -127.81 152.7 47.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 111.474 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 4.3 m -60.75 -35.27 75.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.578 1.151 . . . . 0.0 113.232 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 126.104 1.762 . . . . 0.0 111.416 -178.583 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.84 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 124.049 3.166 . . . . 0.0 112.245 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -68.9 -23.7 64.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.118 0.967 . . . . 0.0 111.424 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.31 -29.43 67.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.908 0.883 . . . . 0.0 112.661 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 60' ' ' LEU . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.446 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.11 -43.14 99.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -60.73 -27.77 68.18 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.139 0.976 . . . . 0.0 112.765 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -82.24 -7.98 59.63 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.659 1.183 . . . . 0.0 113.844 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -102.04 -6.91 22.81 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.057 1.343 . . . . 0.0 113.668 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.604 1.562 . . . . 0.0 112.817 179.303 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.293 0 N-CA-C 114.015 0.366 . . . . 0.0 114.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 63.3 p -60.83 -23.14 64.87 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.947 1.299 . . . . 0.0 113.613 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -71.46 -12.04 61.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.109 1.764 . . . . 0.0 113.645 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 21.9 mmt 61.4 -178.62 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.991 2.117 . . . . 0.0 113.317 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 9.3 t -158.99 173.28 16.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 111.78 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -136.0 13.36 3.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.71 2.004 . . . . 0.0 112.51 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.9 p -150.99 156.12 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.703 2.001 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -140.66 129.12 12.73 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.541 1.536 . . . . 0.0 109.73 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.17 170.84 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.98 3.12 . . . . 0.0 117.733 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 98.7 p -162.76 -179.4 6.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.198 1.799 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 139.51 23.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.627 1.971 . . . . 0.0 109.344 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 79.7 mt -118.72 -1.42 11.1 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -140.34 158.02 44.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.074 1.35 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.3 p -69.16 -27.35 65.45 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.182 0.993 . . . . 0.0 113.266 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 21.7 p -148.66 169.01 21.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.026 2.13 . . . . 0.0 110.959 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 61.0 -14.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.322 2.649 . . . . 0.0 117.09 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -114.18 -0.17 14.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.859 1.664 . . . . 0.0 111.982 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 66' ' ' TYR . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.87 -33.56 70.62 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 747' ' ' MET . . . . . 0.402 ' HE1' HG13 ' A' ' 61' ' ' ILE . 2.1 mpt? -82.14 -30.77 30.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.443 1.497 . . . . 0.0 112.833 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -58.25 -17.93 22.87 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.924 2.09 . . . . 0.0 115.317 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.7 t -66.33 -17.58 64.85 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.252 -0.905 . . . . 0.0 112.935 176.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.361 1.864 . . . . 0.0 112.431 177.693 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.2 -60.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.801 3.001 . . . . 0.0 113.351 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -89.98 -30.12 18.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.044 1.338 . . . . 0.0 110.505 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.7 -26.66 64.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.408 2.283 . . . . 0.0 115.099 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 60' ' ' LEU . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.3 t60 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 58' ' ' LYS . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HG2' HG22 ' A' ' 50' ' ' THR . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 39' ' ' VAL . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.525 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.5 -32.95 74.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -54.95 -27.58 44.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.437 1.495 . . . . 0.0 114.281 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -60.9 -21.32 63.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.294 1.438 . . . . 0.0 113.186 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -71.63 -14.14 61.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.869 1.268 . . . . 0.0 112.95 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 126.378 1.871 . . . . 0.0 110.797 -179.483 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.038 0.375 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 42.9 m 61.12 -178.78 0.11 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.368 1.867 . . . . 0.0 114.091 -178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -67.05 148.12 52.32 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.05 -1.031 . . . . 0.0 111.791 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 58.8 mtt -135.06 24.0 3.55 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.321 1.448 . . . . 0.0 112.708 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.5 p -144.14 174.25 11.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.463 1.505 . . . . 0.0 112.531 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -72.79 16.99 0.12 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.79 130.63 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.97 1.708 . . . . 0.0 110.076 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -160.07 157.47 25.23 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 126.594 1.958 . . . . 0.0 109.835 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -65.27 -179.65 1.2 Allowed 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.379 2.719 . . . . 0.0 114.785 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.3 m -74.64 29.06 0.09 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.95 2.1 . . . . 0.0 113.873 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -123.99 9.55 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.08 2.152 . . . . 0.0 113.414 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 20.4 tp -145.53 147.67 32.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.043 1.737 . . . . 0.0 109.549 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 54.14 20.17 2.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.852 1.661 . . . . 0.0 114.502 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 22.8 p -59.52 -51.51 69.56 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.54 -1.35 . . . . 0.0 113.729 -176.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 10.8 p -66.2 12.16 0.07 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -140.99 9.39 2.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.654 1.981 . . . . 0.0 111.474 171.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -128.78 -5.17 5.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.046 1.738 . . . . 0.0 113.826 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 66' ' ' TYR . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 741' ' ' VAL . . . . . 0.501 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 742' ' ' GLU . . . . . 0.501 ' H ' HG13 ' B' ' 741' ' ' VAL . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 743' ' ' PHE . . . . . 0.525 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm -55.07 -22.45 16.23 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 64.3 mtt -88.1 4.1 46.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.805 1.642 . . . . 0.0 113.762 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -143.28 155.31 44.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.0 t -145.95 11.91 1.24 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.574 1.549 . . . . 0.0 113.573 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 124.667 1.187 . . . . 0.0 113.615 -178.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 CA--C 1.554 1.105 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.22 -61.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.037 3.158 . . . . 0.0 114.212 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -90.03 -22.55 21.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.015 0.926 . . . . 0.0 110.611 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.77 -40.99 63.67 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.673 1.589 . . . . 0.0 112.671 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 60' ' ' LEU . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 39' ' ' VAL . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.443 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' HE2' ' B' ' 746' ' ' MET . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.16 -27.4 66.39 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -55.45 -22.71 21.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.118 1.767 . . . . 0.0 115.174 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -98.99 -0.94 41.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.06 1.744 . . . . 0.0 113.548 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -134.93 -15.06 2.04 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 126.096 1.759 . . . . 0.0 111.277 -177.096 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.524 0 N-CA-C 114.788 0.675 . . . . 0.0 114.788 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 26.6 m -63.79 -19.3 64.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.425 1.49 . . . . 0.0 114.775 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -140.62 154.92 46.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.911 1.684 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.4 ptp -157.56 170.86 21.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.144 1.377 . . . . 0.0 112.548 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.3 m -138.48 157.34 46.37 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 110.83 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -153.67 161.64 41.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.19 0.996 . . . . 0.0 113.562 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 48.3 35.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 127.678 2.391 . . . . 0.0 115.849 176.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -134.4 65.26 67.51 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.701 1.201 . . . . 0.0 112.649 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.42 179.99 5.64 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.826 3.017 . . . . 0.0 112.225 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 77.3 p -83.58 -27.52 29.2 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -156.91 130.76 8.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.609 1.964 . . . . 0.0 109.964 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.58 -120.54 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.787 1.635 . . . . 0.0 108.562 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 59.45 20.88 9.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.054 2.142 . . . . 0.0 115.793 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 71.5 p -134.48 39.87 3.02 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.682 1.593 . . . . 0.0 111.787 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.2 p -59.43 31.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 130.534 3.534 . . . . 0.0 118.234 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -150.1 -6.11 0.33 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.243 3.017 . . . . 0.0 111.853 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.8 -6.81 8.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.122 1.769 . . . . 0.0 111.694 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 737' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 746' ' ' MET . . . . . 0.459 ' HE2' HG23 ' A' ' 84' ' ' ILE . 1.3 mmm -56.97 -21.97 34.45 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.16 -12.07 60.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.614 1.966 . . . . 0.0 114.064 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -145.21 146.02 31.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.426 1.09 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 2.9 t -138.85 12.11 2.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.958 1.303 . . . . 0.0 113.225 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 125.499 1.52 . . . . 0.0 113.646 -179.316 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 16.5 t60 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 49' ' ' LYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.546 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' B' ' 746' ' ' MET . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.418 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.5 mmm . . . . . 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 118.954 -0.546 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 63' ' ' LEU . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.454 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm . . . . . 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 60' ' ' LEU . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 39' ' ' VAL . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.833 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.736 HG23 ' HE2' ' B' ' 746' ' ' MET . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 62' ' ' ALA . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.736 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.4 mmm . . . . . 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' HD11 ' A' ' 60' ' ' LEU . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 58' ' ' LYS . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.661 ' HG2' HG22 ' A' ' 50' ' ' THR . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 60' ' ' LEU . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.485 HG22 ' CE1' ' B' ' 743' ' ' PHE . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.418 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.413 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.674 HG23 ' HE2' ' B' ' 746' ' ' MET . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 66' ' ' TYR . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 61' ' ' ILE . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.674 ' HE2' HG23 ' A' ' 84' ' ' ILE . 13.3 mmm . . . . . 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.465 0.316 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 60' ' ' LEU . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.468 HG22 ' HG2' ' A' ' 58' ' ' LYS . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' HG22 ' A' ' 50' ' ' THR . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.5 HG22 ' CE1' ' B' ' 743' ' ' PHE . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . 0.416 HG11 ' HB1' ' A' ' 62' ' ' ALA . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' A' ' 61' ' ' ILE . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.9 mmm . . . . . 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.757 HG22 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.441 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.441 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm . . . . . 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 60' ' ' LEU . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 HG13 ' A' ' 39' ' ' VAL . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.409 HG22 ' CE1' ' B' ' 743' ' ' PHE . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' B' ' 737' ' ' ILE . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 82' ' ' LEU . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.409 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' HD11 ' A' ' 60' ' ' LEU . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 48' ' ' ARG . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' CE1' ' B' ' 743' ' ' PHE . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.499 HG23 ' HE1' ' B' ' 746' ' ' MET . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 66' ' ' TYR . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 84' ' ' ILE . 7.4 mmm . . . . . 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 119.179 -0.439 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 60' ' ' LEU . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 39' ' ' VAL . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' HA ' HG21 ' A' ' 84' ' ' ILE . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' B' ' 737' ' ' ILE . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.802 HG23 ' HE2' ' B' ' 746' ' ' MET . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 66' ' ' TYR . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . 0.419 ' H ' HG13 ' B' ' 741' ' ' VAL . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.802 ' HE2' HG23 ' A' ' 84' ' ' ILE . 3.0 mmm . . . . . 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 60' ' ' LEU . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' B' ' 743' ' ' PHE . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.67 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 CA--C 1.537 0.48 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.67 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm . . . . . 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.462 HG21 HG21 ' A' ' 61' ' ' ILE . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.902 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.491 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.902 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 118.717 -0.659 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 60' ' ' LEU . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.449 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.455 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.742 HG23 ' HE2' ' B' ' 746' ' ' MET . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.455 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . 0.444 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . 0.444 ' H ' HG13 ' B' ' 741' ' ' VAL . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.429 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.742 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm . . . . . 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 60' ' ' LEU . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' B' ' 737' ' ' ILE . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 738' ' ' VAL . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . 0.441 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 743' ' ' PHE . 3.1 mmm . . . . . 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 118.745 -0.645 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 61' ' ' ILE . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.861 HG22 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.421 HG23 ' HE2' ' B' ' 746' ' ' MET . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . 0.42 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . 0.42 ' H ' HG13 ' B' ' 741' ' ' VAL . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.861 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.421 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.4 mmm . . . . . 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 60' ' ' LEU . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 32.3 t60 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 39' ' ' VAL . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 82' ' ' LEU . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 9.2 mmm . . . . . 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.8 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 HD11 ' A' ' 60' ' ' LEU . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG13 ' A' ' 39' ' ' VAL . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' B' ' 743' ' ' PHE . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm . . . . . 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 . . . . . 0 N--CA 1.47 0.537 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 60' ' ' LEU . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.409 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.446 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.145 0.498 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 66' ' ' TYR . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm . . . . . 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 60' ' ' LEU . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.3 t60 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 58' ' ' LYS . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HG2' HG22 ' A' ' 50' ' ' THR . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 39' ' ' VAL . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.525 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 66' ' ' TYR . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . 0.501 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . 0.501 ' H ' HG13 ' B' ' 741' ' ' VAL . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . 0.525 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm . . . . . 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 60' ' ' LEU . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 39' ' ' VAL . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.443 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.531 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' HE2' ' B' ' 746' ' ' MET . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.443 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 737' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 746' ' ' MET . . . . . 0.459 ' HE2' HG23 ' A' ' 84' ' ' ILE . 1.3 mmm . . . . . 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.85 -75.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 124.035 3.157 . . . . 0.0 112.795 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -75.4 -28.0 59.27 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.708 -0.62 . . . . 0.0 110.297 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -52.52 -40.78 62.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 126.057 1.743 . . . . 0.0 112.792 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -57.78 -38.57 75.68 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.103 0.865 . . . . 0.0 111.524 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.2 mtm180 -73.03 -46.92 49.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.596 1.158 . . . . 0.0 111.181 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.11 -49.8 68.33 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.498 1.519 . . . . 0.0 112.065 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.46 -30.43 67.25 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.813 1.245 . . . . 0.0 112.118 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.9 m -68.12 -37.33 81.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.868 0.758 . . . . 0.0 111.944 175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mt -59.04 -38.1 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.071 0.948 . . . . 0.0 111.667 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -55.84 -34.27 65.26 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.1 mtm180 -56.37 -47.21 79.35 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.002 0.921 . . . . 0.0 110.804 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.8 m -70.9 -36.99 72.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.887 0.875 . . . . 0.0 111.771 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -60.95 -49.82 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 CA-C-N 119.457 1.026 . . . . 0.0 109.873 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -60.42 -42.29 95.73 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 122.018 -0.427 . . . . 0.0 111.7 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.3 m -64.36 -41.98 96.45 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.99 -43.32 75.11 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.81 0.732 . . . . 0.0 110.6 177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -58.93 -44.82 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.635 0.774 . . . . 0.0 110.357 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.1 -54.56 45.6 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.782 0.833 . . . . 0.0 109.815 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.74 66.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -66.0 -16.35 63.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.886 0.875 . . . . 0.0 112.961 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -114.33 -28.84 7.1 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.666 1.586 . . . . 0.0 112.977 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.4 t -64.01 149.03 48.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.783 1.633 . . . . 0.0 112.896 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -118.95 -12.01 9.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.766 2.026 . . . . 0.0 113.469 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -65.7 120.42 12.94 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.367 1.067 . . . . 0.0 111.553 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.37 -24.9 67.8 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -141.26 54.56 1.54 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.647 1.979 . . . . 0.0 110.436 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.05 148.37 3.39 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.292 1.437 . . . . 0.0 112.628 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.4 p -65.15 -16.31 63.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.4 mt -81.25 129.69 65.64 Favored Pre-proline 0 CA--C 1.543 0.697 0 CA-C-N 118.958 0.799 . . . . 0.0 109.9 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -64.54 -38.55 32.16 Favored 'Trans proline' 0 CA--C 1.536 0.575 0 C-N-CA 122.703 2.269 . . . . 0.0 112.46 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m -71.91 -41.82 67.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 118.547 -0.74 . . . . 0.0 112.456 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.2 t -49.76 -47.49 50.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.428 1.491 . . . . 0.0 112.226 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -56.33 -36.22 68.48 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.162 0.985 . . . . 0.0 112.776 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.35 -43.56 18.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.595 . . . . 0.0 111.509 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -57.33 -38.18 73.69 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.991 1.317 . . . . 0.0 112.041 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -62.82 -46.33 88.44 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.934 -0.555 . . . . 0.0 110.807 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.28 -42.14 94.82 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.779 1.172 . . . . 0.0 111.25 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.1 -52.79 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 112.204 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 p -65.04 -41.34 91.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 119.61 1.095 . . . . 0.0 110.942 178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -58.48 -40.32 82.41 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.08 0.854 . . . . 0.0 111.852 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 16.5 t60 -58.09 -57.78 11.35 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.0 m -58.62 -38.06 77.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.806 0.842 . . . . 0.0 112.937 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -57.24 -17.9 13.7 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.486 1.915 . . . . 0.0 114.056 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.38 3.33 4.35 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.926 1.251 . . . . 0.0 115.485 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 43.6 t -65.19 161.67 18.76 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.407 1.603 . . . . 0.0 111.994 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -132.39 7.03 4.18 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 127.053 2.141 . . . . 0.0 111.781 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 23.9 mtm180 -100.22 -62.08 1.29 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.326 1.05 . . . . 0.0 111.922 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 49' ' ' LYS 0.392 0.0 OUTLIER 46.7 -176.42 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 127.436 2.294 . . . . 0.0 115.405 -174.543 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -57.8 -28.84 64.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.271 1.428 . . . . 0.0 113.261 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -74.51 -28.82 61.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.612 1.165 . . . . 0.0 113.729 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.21 -31.64 6.12 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 124.375 0.988 . . . . 0.0 113.364 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.0 8.83 2.9 Favored Glycine 0 CA--C 1.535 1.326 0 N-CA-C 116.199 1.239 . . . . 0.0 116.199 176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 8.8 t -55.7 122.13 43.79 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 119.539 1.669 . . . . 0.0 113.565 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -76.51 -26.93 8.1 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 121.725 1.616 . . . . 0.0 111.38 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.53 -59.06 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.652 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.9 m -46.49 -54.54 9.06 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.924 1.238 . . . . 0.0 111.092 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -54.78 -31.04 58.34 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.22 -45.53 63.11 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.78 0.832 . . . . 0.0 111.169 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -47.61 84.41 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 119.216 0.916 . . . . 0.0 109.109 174.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' B' ' 743' ' ' PHE . 23.7 mm -54.08 -43.67 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 C-N-CA 125.296 1.438 . . . . 0.0 112.148 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.33 -52.89 62.78 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.913 1.233 . . . . 0.0 110.589 174.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -44.38 78.64 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.481 1.512 . . . . 0.0 112.224 -178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.29 -39.52 78.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.28 1.432 . . . . 0.0 111.122 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.04 -46.34 89.87 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.299 1.409 . . . . 0.0 111.234 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -53.09 -41.27 64.75 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.786 0.834 . . . . 0.0 112.429 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -76.42 -53.67 7.81 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.318 1.047 . . . . 0.0 111.47 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.59 -28.7 63.84 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.838 1.655 . . . . 0.0 115.285 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -56.68 -38.55 72.39 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.649 1.113 . . . . 0.0 110.75 174.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -90.09 -35.68 15.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.767 1.627 . . . . 0.0 113.316 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.422 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.8 t -65.23 143.57 57.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.124 0.97 . . . . 0.0 113.486 -177.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.92 0.74 2.68 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.302 1.441 . . . . 0.0 113.253 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.546 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -83.43 149.73 26.48 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.052 -1.03 . . . . 0.0 112.262 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -99.94 -3.38 32.42 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.673 1.589 . . . . 0.0 113.785 -178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 82.3 mttt -117.96 9.08 12.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.797 2.439 . . . . 0.0 113.35 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.44 134.99 52.74 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.042 1.737 . . . . 0.0 111.181 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -69.78 -25.77 28.18 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.021 2.481 . . . . 0.0 115.643 -175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -71.59 123.75 89.88 Favored Pre-proline 0 N--CA 1.473 0.7 0 CA-C-N 119.396 0.998 . . . . 0.0 108.988 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.74 -38.54 39.3 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 122.183 1.922 . . . . 0.0 114.183 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.21 -20.69 40.54 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 t -55.72 -47.22 77.26 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.604 1.093 . . . . 0.0 110.318 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.67 -57.14 14.32 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.732 2.013 . . . . 0.0 110.582 175.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -53.91 -42.45 68.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.509 1.124 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG23 ' HE2' ' B' ' 746' ' ' MET . 65.1 mt -72.44 -54.55 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.158 0.983 . . . . 0.0 110.9 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.5 ptpt -57.41 -37.73 73.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 120.672 1.578 . . . . 0.0 112.048 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -56.77 -33.79 66.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.54 -45.04 12.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.349 1.059 . . . . 0.0 111.532 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -62.42 -40.64 97.19 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -62.47 -19.19 63.3 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -74.51 -23.09 58.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.673 0.789 . . . . 0.0 113.003 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -73.93 157.49 36.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.439 1.096 . . . . 0.0 112.571 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.571 1.548 . . . . 0.0 111.49 -179.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 114.89 0.716 . . . . 0.0 114.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 15.7 t -153.39 169.19 23.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.886 1.675 . . . . 0.0 111.857 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -131.55 12.5 4.94 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.38 1.872 . . . . 0.0 112.531 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.62 176.79 9.57 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.923 1.689 . . . . 0.0 112.144 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 77.7 p -128.55 6.15 5.68 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.39 1.476 . . . . 0.0 114.885 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.84 125.06 22.31 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.332 1.453 . . . . 0.0 111.818 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 18.7 m -67.46 -30.96 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.7 p80 -174.3 156.34 2.35 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 127.554 2.342 . . . . 0.0 110.845 177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.16 -175.35 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.879 3.053 . . . . 0.0 114.791 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.9 p -128.18 -9.28 5.32 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.469 1.508 . . . . 0.0 114.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -154.72 141.9 19.42 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.956 1.702 . . . . 0.0 110.817 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -154.63 152.67 30.26 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.184 1.794 . . . . 0.0 111.131 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -149.84 162.71 39.76 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.229 1.812 . . . . 0.0 110.78 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 33.3 p -72.95 -6.81 47.77 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.276 1.43 . . . . 0.0 113.844 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 13.4 p -76.27 56.81 1.08 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.856 2.062 . . . . 0.0 112.564 178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -138.29 6.23 2.55 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.405 1.482 . . . . 0.0 114.385 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -125.04 -0.95 7.81 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.3 -14.8 42.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.738 172.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 19.2 mt -28.75 105.45 0.2 Allowed Pre-proline 0 CA--C 1.553 1.067 0 C-N-CA 128.973 2.909 . . . . 0.0 114.947 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -76.71 -0.9 10.98 Favored 'Trans proline' 0 CA--C 1.542 0.881 0 C-N-CA 124.583 3.522 . . . . 0.0 116.167 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 36.3 ttp -143.62 144.51 31.94 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.127 0.971 . . . . 0.0 111.884 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.4 m -79.78 158.5 72.97 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 125.772 1.629 . . . . 0.0 113.112 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.89 -41.26 76.28 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.296 2.664 . . . . 0.0 114.351 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -66.04 -40.12 90.74 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.024 0.929 . . . . 0.0 112.316 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.26 -49.47 60.32 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.111 0.964 . . . . 0.0 109.208 176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.16 -39.37 72.21 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.48 1.112 . . . . 0.0 112.534 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.38 -45.83 89.3 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 121.288 -0.882 . . . . 0.0 111.331 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -65.25 -34.28 77.98 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.299 -0.876 . . . . 0.0 111.873 176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 53.4 t -65.87 -47.75 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.568 -0.707 . . . . 0.0 109.232 174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 59.4 m -56.42 -36.04 68.5 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.229 1.012 . . . . 0.0 112.905 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -63.37 -42.97 98.9 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.343 0.657 . . . . 0.0 112.498 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 14.8 mt -80.36 -42.4 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.943 0.897 . . . . 0.0 112.223 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.79 -31.72 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 O-C-N 121.418 -0.802 . . . . 0.0 111.364 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.06 27.14 21.57 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.923 1.249 . . . . 0.0 115.082 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 22.1 m 51.83 29.07 5.53 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.921 2.089 . . . . 0.0 115.734 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -21.38 -66.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 128.226 2.611 . . . . 0.0 116.445 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.57 27.1 1.12 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.178 2.191 . . . . 0.0 109.05 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.8 t80 -43.36 -38.06 2.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 129.502 3.121 . . . . 0.0 117.973 -170.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -83.23 15.48 2.89 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 124.481 1.112 . . . . 0.0 113.591 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 15.4 t -133.31 3.75 3.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.636 1.975 . . . . 0.0 113.213 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.418 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.5 mmm -57.42 -31.47 65.91 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.171 -1.58 . . . . 0.0 113.684 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -76.78 -14.13 59.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.729 1.212 . . . . 0.0 113.81 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -92.7 -19.31 21.95 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 -176.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.7 m 40.59 58.28 2.4 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 127.177 2.191 . . . . 0.0 115.367 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.483 1.202 0 C-N-CA 126.401 1.88 . . . . 0.0 111.468 178.122 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 CA--C 1.549 0.908 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.04 -79.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 124.115 3.21 . . . . 0.0 112.51 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.12 -27.38 66.41 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.885 0.874 . . . . 0.0 110.849 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -55.06 -34.61 63.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.003 1.721 . . . . 0.0 112.423 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -52.07 -43.71 63.96 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.174 0.897 . . . . 0.0 112.263 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -68.05 -51.23 49.08 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.456 1.502 . . . . 0.0 111.059 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -55.84 -43.8 77.39 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.319 1.847 . . . . 0.0 112.946 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.8 mt -76.39 -30.6 57.57 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.177 1.391 . . . . 0.0 112.146 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.9 m -67.9 -44.82 76.08 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.982 0.81 . . . . 0.0 110.642 174.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mt -49.78 -37.61 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.444 1.497 . . . . 0.0 112.772 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -51.18 -32.79 24.71 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.9 ptt85 -55.75 -43.1 76.34 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.49 1.116 . . . . 0.0 112.077 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' HD11 ' A' ' 63' ' ' LEU . 78.4 m -75.22 -37.88 60.93 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.216 1.007 . . . . 0.0 111.61 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.11 -48.79 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -62.26 -43.32 99.09 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.004 -0.435 . . . . 0.0 111.613 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -62.96 -43.52 98.56 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 tp -69.72 -42.38 74.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.595 -0.691 . . . . 0.0 110.655 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -58.78 -44.45 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.342 0.657 . . . . 0.0 110.207 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -60.25 -54.3 47.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.256 0.622 . . . . 0.0 109.962 174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.6 65.39 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.46 -22.04 66.2 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.692 0.797 . . . . 0.0 112.597 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -105.03 -28.63 10.93 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.642 1.577 . . . . 0.0 112.064 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.5 t -72.99 154.48 40.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.226 1.41 . . . . 0.0 111.564 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.2 mmt-85 -133.0 -15.25 2.62 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.938 1.295 . . . . 0.0 114.36 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.95 141.5 53.54 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.363 1.065 . . . . 0.0 113.034 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.17 -22.63 55.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.699 1.199 . . . . 0.0 113.161 174.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -139.56 47.11 1.87 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.206 1.802 . . . . 0.0 111.656 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.2 t -52.54 145.79 11.05 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.237 1.015 . . . . 0.0 111.011 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -62.67 -16.11 55.47 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.71 127.24 73.4 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 119.262 0.937 . . . . 0.0 110.129 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -65.96 -32.33 44.99 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.609 2.206 . . . . 0.0 112.2 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.4 p -72.53 -45.5 58.99 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 124.221 1.008 . . . . 0.0 112.158 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.9 t -49.23 -48.8 45.33 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.85 1.66 . . . . 0.0 112.249 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -56.56 -29.93 62.54 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 0.0 113.233 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.42 -43.71 10.69 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.394 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.2 mmt -56.02 -38.73 70.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.496 1.518 . . . . 0.0 112.385 177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -62.14 -46.12 90.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.057 0.543 . . . . 0.0 110.758 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -63.81 -37.72 88.42 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 119.141 0.882 . . . . 0.0 111.725 176.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.85 -53.04 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.266 1.426 . . . . 0.0 111.66 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.65 -43.22 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.188 0.903 . . . . 0.0 110.521 178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.56 -43.07 75.53 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.414 1.086 . . . . 0.0 112.507 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -59.12 -56.37 23.03 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.377 0.535 . . . . 0.0 110.48 176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.5 m -60.46 -36.22 77.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.881 0.872 . . . . 0.0 112.662 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -60.85 -6.58 1.86 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.929 1.692 . . . . 0.0 113.909 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.08 16.19 1.53 Allowed Glycine 0 CA--C 1.541 1.694 0 C-N-CA 125.674 1.607 . . . . 0.0 115.064 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.38 150.38 35.44 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.304 1.552 . . . . 0.0 113.261 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -110.74 4.14 19.74 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.749 2.02 . . . . 0.0 112.767 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -134.47 -43.1 0.77 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 116.992 -1.48 . . . . 0.0 113.32 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.87 -162.01 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.406 2.282 . . . . 0.0 116.625 178.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.3 p -59.53 -35.16 73.67 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.226 -1.546 . . . . 0.0 113.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.58 -28.84 65.19 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.4 -36.18 4.44 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.785 1.183 . . . . 0.0 113.143 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.45 13.91 1.25 Allowed Glycine 0 CA--C 1.536 1.349 0 N-CA-C 116.768 1.467 . . . . 0.0 116.768 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 45.0 t -57.47 120.97 44.8 Favored Pre-proline 0 CA--C 1.548 0.902 0 CA-C-N 119.445 1.623 . . . . 0.0 112.573 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.62 -23.18 20.01 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.295 1.996 . . . . 0.0 112.308 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.4 t -75.59 -60.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 118.164 -0.922 . . . . 0.0 109.772 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.8 m -49.19 -53.21 22.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.152 0.981 . . . . 0.0 112.23 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -54.41 -30.51 52.57 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.438 1.095 . . . . 0.0 112.947 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -74.23 -43.42 57.16 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.795 -1.097 . . . . 0.0 112.505 176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.24 -48.72 80.56 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.411 1.46 . . . . 0.0 109.976 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.5 -40.37 58.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.445 0.698 . . . . 0.0 110.52 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.19 -52.19 60.11 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.116 0.871 . . . . 0.0 110.185 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 13' ' ' CYS . 0.3 OUTLIER -55.38 -44.1 75.75 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.447 1.499 . . . . 0.0 111.523 178.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.2 m -68.56 -45.0 73.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.582 1.153 . . . . 0.0 111.327 176.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 53.2 m -56.17 -45.42 79.71 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.451 1.478 . . . . 0.0 111.943 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -58.22 -36.24 72.87 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.028 1.331 . . . . 0.0 112.624 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -81.99 -52.67 6.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.756 0.822 . . . . 0.0 110.723 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.42 -40.56 59.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.9 2.08 . . . . 0.0 115.564 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -59.39 -48.68 80.73 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.81 0.814 . . . . 0.0 112.993 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.0 -20.43 60.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.843 1.657 . . . . 0.0 112.221 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.0 t -74.71 160.75 30.37 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.267 1.027 . . . . 0.0 112.003 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -141.36 -11.57 0.93 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.643 1.577 . . . . 0.0 114.059 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.9 tp10 -77.92 154.89 31.23 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.091 -1.006 . . . . 0.0 111.651 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -109.58 -4.17 16.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.209 1.404 . . . . 0.0 112.841 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 71.0 mmtt -117.68 13.5 14.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.222 2.609 . . . . 0.0 113.223 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.1 139.3 45.06 Favored Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 126.623 1.969 . . . . 0.0 110.795 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -68.38 -26.89 34.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.69 2.26 . . . . 0.0 115.849 -174.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -69.51 129.85 91.17 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.019 0.927 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.15 -39.39 23.72 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 121.77 1.647 . . . . 0.0 114.065 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.59 -25.35 38.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.0 t -49.35 -53.32 22.87 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.472 1.033 . . . . 0.0 112.294 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -51.3 68.08 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.91 -0.494 . . . . 0.0 111.533 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -51.08 -43.85 61.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.503 1.121 . . . . 0.0 112.497 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.8 mt -75.21 -57.94 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.9 ptpt -55.17 -40.49 70.72 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.11 1.323 . . . . 0.0 113.035 -177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -61.23 -40.26 93.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.21 0.604 . . . . 0.0 111.522 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -69.51 -44.18 71.56 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.709 0.686 . . . . 0.0 111.206 175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.28 -45.3 92.08 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.327 0.512 . . . . 0.0 111.745 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -59.94 -37.11 78.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.507 1.123 . . . . 0.0 112.926 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -70.29 -32.8 70.75 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.92 -34.75 44.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.635 1.174 . . . . 0.0 112.49 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 126.238 1.815 . . . . 0.0 112.743 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.466 0 N-CA-C 114.883 0.713 . . . . 0.0 114.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 50.7 m -60.8 136.42 58.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.267 1.427 . . . . 0.0 112.885 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -143.12 158.54 43.51 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.071 1.748 . . . . 0.0 111.036 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.11 167.38 30.04 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.508 1.523 . . . . 0.0 112.115 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.9 m -64.87 160.05 21.33 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.767 1.227 . . . . 0.0 112.767 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.62 144.52 56.94 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.272 1.029 . . . . 0.0 111.869 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.85 164.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.345 1.458 . . . . 0.0 112.712 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -141.94 72.86 23.26 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.351 1.46 . . . . 0.0 110.491 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.98 -176.51 2.42 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.395 3.397 . . . . 0.0 113.56 -177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 79.7 p -68.07 3.18 1.7 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.615 1.966 . . . . 0.0 115.764 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -137.53 146.91 44.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.273 1.829 . . . . 0.0 111.091 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.25 -161.13 1.18 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.991 2.116 . . . . 0.0 108.6 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -55.03 -16.92 3.2 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.722 -1.236 . . . . 0.0 114.138 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 25.2 p -71.02 -5.8 34.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.745 2.418 . . . . 0.0 114.388 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.5 p -52.74 -35.51 56.24 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 120.031 1.287 . . . . 0.0 114.199 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -64.87 -4.33 4.34 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.749 1.619 . . . . 0.0 114.253 177.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -117.69 3.55 12.33 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.095 1.358 . . . . 0.0 113.501 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.6 mt -59.73 -14.15 13.14 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.294 -0.879 . . . . 0.0 112.215 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.3 mt -40.06 103.12 0.28 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 128.229 2.612 . . . . 0.0 114.201 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.6 -12.3 18.49 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.642 2.228 . . . . 0.0 113.794 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.3 ttp -121.13 145.41 47.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.482 1.113 . . . . 0.0 112.767 -174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 24.3 t -76.84 151.88 82.46 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 125.768 1.627 . . . . 0.0 111.706 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -59.31 -29.01 89.14 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 122.062 1.841 . . . . 0.0 112.125 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -69.08 -36.66 77.86 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.919 0.888 . . . . 0.0 112.218 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -74.1 -49.42 24.02 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.601 1.16 . . . . 0.0 109.161 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.12 -41.53 71.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.697 1.199 . . . . 0.0 112.557 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.0 -44.7 94.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.991 0.916 . . . . 0.0 111.551 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -69.99 -31.71 69.55 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.584 -0.698 . . . . 0.0 112.123 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 47.3 t -64.8 -48.84 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 119.409 1.004 . . . . 0.0 108.999 174.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 23.7 t -55.71 -41.08 73.31 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.185 0.994 . . . . 0.0 111.969 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 33.8 ttm105 -58.12 -35.66 71.8 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.807 1.243 . . . . 0.0 113.942 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.89 -44.8 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.2 1.0 . . . . 0.0 112.002 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 84.4 t -66.57 -33.06 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.921 0.888 . . . . 0.0 111.99 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.06 56.87 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.692 1.139 . . . . 0.0 115.865 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.9 m 55.03 17.66 1.98 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -4.95 -72.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 129.661 3.184 . . . . 0.0 117.005 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -144.22 28.58 1.35 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 127.657 2.383 . . . . 0.0 108.911 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -41.66 -47.63 3.97 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -73.44 4.05 5.26 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 120.754 -1.216 . . . . 0.0 113.509 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 55.8 m -124.89 5.74 8.04 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.328 2.251 . . . . 0.0 113.047 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.4 mmm -58.47 -27.7 64.65 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.653 1.57 . . . . 0.0 111.768 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 57.0 mtt -84.41 -11.49 56.16 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.542 1.937 . . . . 0.0 113.844 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.74 -33.19 69.97 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 5.1 t -78.5 -4.13 47.02 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.343 1.057 . . . . 0.0 113.22 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.475 0.779 0 C-N-CA 126.166 1.786 . . . . 0.0 110.814 179.836 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.12 -61.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 123.619 2.879 . . . . 0.0 112.994 -176.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -90.02 -28.03 19.34 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.631 1.172 . . . . 0.0 111.061 175.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -54.36 -39.39 67.11 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.038 0.935 . . . . 0.0 113.191 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -55.48 -44.98 76.99 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.101 0.864 . . . . 0.0 111.755 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -66.04 -53.05 43.25 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.056 1.343 . . . . 0.0 110.757 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -52.57 -50.79 62.27 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.101 1.36 . . . . 0.0 112.797 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.8 -41.3 92.1 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.401 1.081 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -61.62 -44.0 97.8 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.979 0.809 . . . . 0.0 111.618 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.02 -44.71 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.988 0.915 . . . . 0.0 109.689 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -60.35 -38.8 84.95 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.579 -0.701 . . . . 0.0 112.332 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -63.29 -38.53 91.52 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 120.516 1.507 . . . . 0.0 111.462 175.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.9 m -64.91 -42.41 94.76 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.087 0.403 . . . . 0.0 110.307 173.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -58.77 -45.04 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 121.08 -1.013 . . . . 0.0 110.457 175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -58.62 -42.86 89.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.416 1.007 . . . . 0.0 111.448 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.9 m -64.51 -40.08 94.97 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.495 0.718 . . . . 0.0 111.993 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.9 tp -67.86 -42.99 80.48 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.663 -0.648 . . . . 0.0 110.382 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.3 t -58.82 -44.53 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.269 1.028 . . . . 0.0 110.303 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -58.9 -54.62 45.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.732 0.813 . . . . 0.0 109.375 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -34.52 66.67 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.38 -12.61 61.39 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.343 1.057 . . . . 0.0 113.374 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -116.82 -24.06 7.84 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.893 1.677 . . . . 0.0 112.608 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.9 t -67.0 163.46 19.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.936 1.694 . . . . 0.0 112.894 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -134.0 -14.73 2.36 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.35 1.86 . . . . 0.0 114.265 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -64.11 119.77 10.81 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.193 0.997 . . . . 0.0 111.193 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -27.67 68.63 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -140.78 58.19 1.56 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.618 1.967 . . . . 0.0 110.201 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -49.72 149.75 2.37 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.814 1.646 . . . . 0.0 112.26 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.9 p -65.21 -16.54 63.64 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -83.43 126.34 71.78 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.491 0.716 . . . . 0.0 109.934 174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.05 -32.45 53.36 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 122.406 2.071 . . . . 0.0 111.502 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.5 p -68.11 -52.54 33.83 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 124.092 0.957 . . . . 0.0 111.227 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.2 t -48.72 -49.48 37.84 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.501 1.521 . . . . 0.0 112.444 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -56.72 -39.91 74.75 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.477 -0.764 . . . . 0.0 112.724 175.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -73.78 -43.44 58.94 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.587 1.155 . . . . 0.0 110.607 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.0 mmt -58.41 -40.19 81.77 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.213 1.405 . . . . 0.0 112.52 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -62.62 -46.15 89.58 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.044 0.538 . . . . 0.0 110.615 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -64.33 -39.15 93.32 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.207 1.003 . . . . 0.0 111.461 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 60' ' ' LEU . 48.6 t -63.46 -53.9 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 126.018 1.727 . . . . 0.0 111.769 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -63.37 -41.19 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.251 0.932 . . . . 0.0 110.725 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -56.23 -43.04 78.25 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.241 1.017 . . . . 0.0 112.161 175.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -59.19 -56.45 21.97 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 118.433 0.561 . . . . 0.0 110.223 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 m -60.3 -35.53 75.79 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -60.42 -7.71 2.24 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.262 1.825 . . . . 0.0 113.814 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.23 8.93 1.7 Allowed Glycine 0 CA--C 1.538 1.474 0 CA-C-O 118.109 -1.384 . . . . 0.0 115.71 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -60.26 147.77 39.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.839 1.82 . . . . 0.0 112.372 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -107.97 7.18 27.77 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 126.247 1.819 . . . . 0.0 112.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -125.98 -57.12 1.43 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.661 1.184 . . . . 0.0 111.825 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.444 0.1 OUTLIER 45.9 -173.57 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -179.442 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.6 p -57.37 -32.63 66.98 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 120.542 -1.349 . . . . 0.0 113.659 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -74.74 -11.02 60.06 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.74 -36.83 0.57 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.888 1.232 . . . . 0.0 115.329 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.38 10.12 0.29 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 118.165 2.026 . . . . 0.0 118.165 176.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 50.3 t -62.72 127.55 90.52 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 120.343 2.072 . . . . 0.0 112.717 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -22.68 10.42 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.109 1.873 . . . . 0.0 112.142 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -78.77 -59.37 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 117.466 -1.254 . . . . 0.0 110.344 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -47.64 -53.17 15.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.416 1.086 . . . . 0.0 110.826 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -55.28 -29.8 58.88 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -72.06 -46.26 57.61 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.949 0.9 . . . . 0.0 111.618 176.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 39' ' ' VAL . 6.7 mp -61.04 -46.64 89.89 Favored 'General case' 0 N--CA 1.476 0.825 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 174.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.833 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -55.75 -43.56 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 C-N-CA 124.891 1.276 . . . . 0.0 111.525 -179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -60.89 -52.97 62.78 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.89 1.223 . . . . 0.0 110.289 174.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -41.93 77.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.761 1.224 . . . . 0.0 112.785 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.1 m -74.26 -40.49 62.32 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.723 1.609 . . . . 0.0 111.957 178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.6 m -60.73 -44.28 96.83 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.814 1.643 . . . . 0.0 110.576 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -59.18 -30.64 68.34 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.495 1.518 . . . . 0.0 112.391 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -84.47 -58.32 2.79 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.943 0.897 . . . . 0.0 110.762 175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.67 -34.82 28.01 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.802 2.041 . . . . 0.0 115.546 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -63.61 -50.94 67.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.825 0.821 . . . . 0.0 113.161 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -73.53 -23.99 60.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.759 1.624 . . . . 0.0 111.6 178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.1 t -73.22 156.07 38.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.978 0.911 . . . . 0.0 111.253 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -138.97 -0.72 1.85 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.721 1.608 . . . . 0.0 112.772 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.4 tp10 -78.5 154.52 30.44 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.116 -0.99 . . . . 0.0 112.059 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -113.24 -3.13 13.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.72 15.74 9.45 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.554 2.741 . . . . 0.0 112.436 -179.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.91 136.63 56.23 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 126.977 2.111 . . . . 0.0 110.952 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -70.19 -26.14 25.86 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.837 2.358 . . . . 0.0 115.784 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.6 t -69.93 123.87 89.55 Favored Pre-proline 0 N--CA 1.475 0.799 0 CA-C-N 119.507 1.049 . . . . 0.0 109.095 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 -36.05 58.04 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.889 1.726 . . . . 0.0 113.834 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -79.5 -19.5 49.51 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.0 t -59.92 -55.43 34.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.983 1.265 . . . . 0.0 109.692 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mt -51.37 -51.44 54.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.188 2.195 . . . . 0.0 111.368 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -64.11 -52.83 57.31 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.292 1.437 . . . . 0.0 113.328 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.736 HG23 ' HE2' ' B' ' 746' ' ' MET . 67.4 mt -61.67 -52.78 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.058 0.844 . . . . 0.0 109.953 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -47.0 -47.47 22.0 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.518 1.527 . . . . 0.0 112.131 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -57.63 -48.68 78.77 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.328 0.513 . . . . 0.0 112.31 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -62.4 -41.99 99.09 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 118.991 0.814 . . . . 0.0 112.373 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.72 -43.2 76.47 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -67.65 -34.12 76.31 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.135 0.974 . . . . 0.0 112.859 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -95.63 7.97 44.75 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.068 1.347 . . . . 0.0 113.57 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -56.69 -30.35 63.34 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.63 1.572 . . . . 0.0 114.132 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 N--CA 1.474 0.732 0 C-N-CA 126.588 1.955 . . . . 0.0 113.928 177.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 20.3 m -57.19 -18.58 16.28 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 126.055 1.742 . . . . 0.0 114.894 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 35.2 p80 -72.4 -3.4 23.86 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.806 1.642 . . . . 0.0 114.066 177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.1 ttt -138.57 153.13 48.67 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.579 1.552 . . . . 0.0 111.629 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 7.5 t -151.13 -178.45 6.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.833 1.653 . . . . 0.0 111.077 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.5 150.28 31.84 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.491 1.516 . . . . 0.0 112.508 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.1 p -149.13 152.79 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.516 1.126 . . . . 0.0 112.424 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -140.8 90.41 9.65 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.679 1.592 . . . . 0.0 109.336 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.64 177.98 6.85 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 123.757 2.971 . . . . 0.0 114.164 -176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 63.2 p -74.66 -16.66 60.76 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.751 1.62 . . . . 0.0 114.925 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -147.86 145.22 28.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.119 1.768 . . . . 0.0 111.667 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 15.6 tp -147.88 4.72 0.75 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -119.11 -4.62 10.54 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.266 1.426 . . . . 0.0 114.308 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 3.3 p -66.53 134.63 52.79 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.737 1.215 . . . . 0.0 112.471 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 25.2 p -65.21 -24.44 67.36 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -63.43 -2.31 1.49 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.066 1.746 . . . . 0.0 115.694 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -116.69 4.13 13.08 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.675 1.19 . . . . 0.0 113.213 175.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.2 -16.39 52.86 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.14 0.976 . . . . 0.0 112.901 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.9 mt -28.78 107.69 0.22 Allowed Pre-proline 0 CA--C 1.555 1.161 0 C-N-CA 129.043 2.937 . . . . 0.0 114.661 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.03 -10.74 21.29 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.942 3.094 . . . . 0.0 114.545 -178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 34.3 ttp -136.92 151.47 49.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.0 2.12 . . . . 0.0 109.669 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 69.1 m -98.84 157.17 34.64 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.451 1.101 . . . . 0.0 112.833 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.99 -36.69 54.64 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.721 2.947 . . . . 0.0 114.725 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.74 -26.15 66.85 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.644 0.778 . . . . 0.0 112.911 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -89.57 -40.13 12.82 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.39 1.476 . . . . 0.0 109.604 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -53.21 -35.08 59.52 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.341 1.056 . . . . 0.0 111.293 174.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.48 -43.34 88.91 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.416 1.086 . . . . 0.0 112.087 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -67.91 -35.84 79.17 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.165 -0.959 . . . . 0.0 111.08 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 62' ' ' ALA . 93.5 t -66.92 -45.46 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 O-C-N 121.675 -0.641 . . . . 0.0 110.394 176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 29.4 t -56.19 -39.94 73.2 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.595 1.158 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -63.23 -37.75 88.47 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 17.4 mt -87.66 -44.98 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.921 0.888 . . . . 0.0 112.939 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.8 t -71.07 -32.37 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.419 1.088 . . . . 0.0 111.852 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 57.31 23.98 50.0 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 124.637 1.113 . . . . 0.0 115.594 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 31.3 m 49.52 34.57 7.05 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.705 2.002 . . . . 0.0 115.89 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -29.05 -62.66 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 128.162 2.585 . . . . 0.0 116.77 -178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -142.81 18.1 1.98 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 126.447 1.899 . . . . 0.0 110.106 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.833 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.5 t80 -38.24 -46.89 1.13 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 130.411 3.484 . . . . 0.0 118.501 -170.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.9 -4.64 21.35 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 73.2 m -125.91 10.91 7.68 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.374 1.87 . . . . 0.0 113.895 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.736 ' HE2' HG23 ' A' ' 84' ' ' ILE . 4.4 mmm -55.03 -31.07 60.8 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 119.942 1.246 . . . . 0.0 112.041 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.66 -18.68 65.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.682 1.593 . . . . 0.0 114.738 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 161.32 7.96 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.853 0.861 . . . . 0.0 111.049 178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 3.4 m 71.81 -31.77 0.23 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 126.677 1.991 . . . . 0.0 113.757 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 N--CA 1.476 0.865 0 C-N-CA 126.928 2.091 . . . . 0.0 111.358 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 CA--C 1.548 0.887 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.1 -62.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.751 2.967 . . . . 0.0 112.669 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -90.01 -26.66 20.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.743 0.817 . . . . 0.0 110.874 175.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.16 -39.4 69.47 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.446 0.698 . . . . 0.0 112.534 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -57.73 -35.14 70.3 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 118.909 0.777 . . . . 0.0 112.608 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -72.63 -54.76 8.19 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.907 0.883 . . . . 0.0 110.131 175.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -51.85 -49.49 62.76 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.596 1.958 . . . . 0.0 112.727 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.62 -33.13 72.23 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.995 1.318 . . . . 0.0 112.254 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.6 m -70.64 -37.61 73.78 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.003 0.82 . . . . 0.0 111.555 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.9 mt -58.89 -38.23 71.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.617 0.767 . . . . 0.0 110.612 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -57.14 -40.29 76.88 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.337 -0.852 . . . . 0.0 111.967 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -65.48 -37.62 87.37 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.15 -0.969 . . . . 0.0 111.253 176.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 68.0 m -65.18 -40.61 94.5 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.034 0.533 . . . . 0.0 110.69 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.11 -49.32 85.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.048 0.939 . . . . 0.0 109.661 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -56.92 -42.11 79.39 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.654 0.661 . . . . 0.0 111.576 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 -44.29 93.45 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.798 0.839 . . . . 0.0 112.506 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.23 -42.04 80.35 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.758 0.708 . . . . 0.0 110.798 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.0 t -58.93 -44.7 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.287 1.035 . . . . 0.0 110.447 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -60.01 -54.6 44.17 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.418 0.687 . . . . 0.0 109.571 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -32.85 64.19 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -26.01 67.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.651 0.78 . . . . 0.0 112.492 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -100.81 -30.1 11.88 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.435 1.494 . . . . 0.0 111.907 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.9 t -72.72 153.8 40.99 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -133.93 -9.04 2.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.921 1.688 . . . . 0.0 113.747 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -58.97 122.6 14.1 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.043 1.337 . . . . 0.0 110.902 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -23.12 66.52 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -140.21 49.75 1.73 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.349 1.859 . . . . 0.0 111.088 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.89 150.74 2.81 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.841 1.256 . . . . 0.0 112.618 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -64.56 -16.9 63.38 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.41 128.22 65.23 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 119.046 0.839 . . . . 0.0 110.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.75 -31.76 48.17 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.689 2.26 . . . . 0.0 112.22 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.7 p -73.0 -46.02 54.6 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.23 1.012 . . . . 0.0 111.938 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.1 t -50.13 -47.73 53.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.73 1.612 . . . . 0.0 112.125 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -55.98 -30.09 61.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.531 1.132 . . . . 0.0 113.47 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.1 -45.61 9.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.759 2.024 . . . . 0.0 112.259 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -54.59 -38.19 66.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.622 1.569 . . . . 0.0 112.222 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -61.76 -45.0 95.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.176 0.59 . . . . 0.0 111.298 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -62.65 -39.7 94.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.898 0.879 . . . . 0.0 111.064 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' HD11 ' A' ' 60' ' ' LEU . 79.3 t -63.35 -53.94 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.944 1.298 . . . . 0.0 111.743 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 -43.98 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.121 0.873 . . . . 0.0 110.286 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.8 mm100 -55.0 -46.6 75.18 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.171 0.988 . . . . 0.0 112.042 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 33.1 t60 -56.98 -56.82 16.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.44 0.564 . . . . 0.0 110.667 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 m -61.31 -36.21 79.47 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -57.74 -12.48 3.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.419 1.888 . . . . 0.0 114.626 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.85 0.27 1.84 Allowed Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.622 1.106 . . . . 0.0 115.284 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 9.6 t -66.81 144.1 56.5 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 119.338 1.569 . . . . 0.0 112.056 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -109.61 4.67 22.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.009 1.724 . . . . 0.0 112.875 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 25.6 mtm180 -90.37 -65.11 1.05 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.482 1.113 . . . . 0.0 108.746 177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.507 0.0 OUTLIER 42.1 -172.15 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 118.979 2.955 . . . . 0.0 118.979 179.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.661 HG22 ' HG2' ' A' ' 58' ' ' LYS . 55.5 p -55.18 -34.68 64.07 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.155 1.382 . . . . 0.0 113.187 -177.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -70.73 -23.02 62.37 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.042 1.337 . . . . 0.0 113.92 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.33 -35.48 1.77 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.538 1.066 . . . . 0.0 114.972 -178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.13 8.75 1.54 Allowed Glycine 0 CA--C 1.536 1.404 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.5 t -55.21 125.79 59.15 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 120.171 1.986 . . . . 0.0 113.29 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -75.61 -24.68 11.66 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 121.58 1.52 . . . . 0.0 112.009 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.3 t -76.51 -59.73 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.415 1.007 . . . . 0.0 110.204 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 95.6 m -49.81 -51.53 39.02 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.132 0.878 . . . . 0.0 112.951 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.661 ' HG2' HG22 ' A' ' 50' ' ' THR . 59.5 mtpt -55.35 -33.84 63.73 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.54 0.609 . . . . 0.0 112.414 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -62.98 -45.92 90.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 112.034 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 60' ' ' LEU . 6.4 mp -62.09 -49.45 75.89 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.499 0.59 . . . . 0.0 110.169 177.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.485 HG22 ' CE1' ' B' ' 743' ' ' PHE . 9.3 mm -55.56 -44.65 77.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.716 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.08 61.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.663 1.119 . . . . 0.0 110.447 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -41.56 71.95 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.746 1.218 . . . . 0.0 111.424 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.0 m -70.78 -40.12 72.77 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.753 1.221 . . . . 0.0 112.159 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 64.3 m -58.84 -44.57 90.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.693 1.588 . . . . 0.0 110.687 176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.8 t80 -56.88 -40.29 75.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.746 1.219 . . . . 0.0 112.049 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.1 -54.02 6.73 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.314 1.046 . . . . 0.0 111.526 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.2 -31.65 63.66 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.742 1.617 . . . . 0.0 114.599 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -56.3 -38.98 72.0 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.856 0.862 . . . . 0.0 111.49 174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -90.03 -32.99 16.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.121 1.369 . . . . 0.0 112.99 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 5.0 t -61.65 156.82 19.04 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.76 -7.99 0.84 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.992 1.717 . . . . 0.0 113.703 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.2 tp10 -74.99 149.93 39.14 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.966 -1.084 . . . . 0.0 112.099 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -99.86 -9.61 22.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.92 1.688 . . . . 0.0 113.148 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 79.9 mttt -118.31 13.82 13.72 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.667 2.387 . . . . 0.0 113.853 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.34 136.7 50.67 Favored Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 125.752 1.621 . . . . 0.0 110.464 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -69.53 -24.85 30.26 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.785 2.323 . . . . 0.0 115.799 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.96 127.26 91.89 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 124.147 0.979 . . . . 0.0 109.673 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.67 -33.87 43.3 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.98 1.786 . . . . 0.0 114.242 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -81.75 -26.99 34.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.413 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 41.4 t -52.35 -51.65 57.69 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.199 0.908 . . . . 0.0 112.661 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -58.61 -49.78 76.22 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.158 0.583 . . . . 0.0 111.663 177.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -59.43 -48.15 82.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.909 0.884 . . . . 0.0 112.183 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.674 HG23 ' HE2' ' B' ' 746' ' ' MET . 60.5 mt -68.96 -50.97 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.597 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 11.9 ptpt -57.07 -44.55 83.16 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 120.535 1.516 . . . . 0.0 111.981 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -60.1 -44.4 94.86 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.376 0.989 . . . . 0.0 111.701 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -64.63 -40.94 96.36 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.821 0.849 . . . . 0.0 112.488 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.69 -47.35 54.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.863 1.265 . . . . 0.0 112.781 178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -61.02 -36.9 80.75 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 119.146 0.885 . . . . 0.0 112.367 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -89.46 1.24 56.14 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.711 1.204 . . . . 0.0 113.748 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -64.48 -25.43 67.99 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.432 1.093 . . . . 0.0 113.647 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 . . . . . 0 C--O 1.241 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.31 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.464 0 N-CA-C 114.845 0.698 . . . . 0.0 114.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 89.5 p -69.76 -17.42 63.43 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.366 1.467 . . . . 0.0 114.621 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 55.18 30.69 14.99 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.21 1.804 . . . . 0.0 113.85 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.13 170.15 18.45 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.178 1.391 . . . . 0.0 112.675 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.1 m -141.13 155.15 46.14 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.749 1.62 . . . . 0.0 111.196 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -133.63 18.99 3.9 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.828 1.251 . . . . 0.0 113.124 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.69 -14.5 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -156.56 138.88 10.34 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.841 1.656 . . . . 0.0 110.432 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -59.5 -179.79 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.914 3.076 . . . . 0.0 115.703 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 10.4 t -154.5 161.23 41.76 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.252 1.421 . . . . 0.0 112.019 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -154.85 163.52 40.16 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.807 2.043 . . . . 0.0 111.6 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 26.1 tp -149.73 151.97 34.51 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.734 1.214 . . . . 0.0 111.648 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -71.05 146.4 49.34 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.742 1.217 . . . . 0.0 112.258 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 53.5 p -128.04 -1.17 5.87 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 125.906 1.682 . . . . 0.0 112.768 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . 0.445 HG22 ' H ' ' B' ' 722' ' ' ASN . 33.4 m -45.07 123.35 3.84 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 129.077 2.951 . . . . 0.0 113.856 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.48 7.05 27.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.865 2.066 . . . . 0.0 114.621 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . 0.445 ' H ' HG22 ' B' ' 720' ' ' THR . 14.6 m120 -113.01 4.33 16.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.766 1.226 . . . . 0.0 113.18 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.3 -17.43 63.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.263 1.025 . . . . 0.0 112.203 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 20.9 mt -32.75 106.29 0.26 Allowed Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 128.821 2.848 . . . . 0.0 114.116 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -79.92 -4.67 13.48 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.693 2.929 . . . . 0.0 114.696 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.5 ttp -138.63 142.96 39.08 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.674 1.59 . . . . 0.0 110.616 -177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.0 p -79.74 165.04 50.25 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 124.959 1.304 . . . . 0.0 114.324 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.73 -36.39 98.42 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.067 2.511 . . . . 0.0 113.498 176.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -74.48 -36.59 63.29 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.467 -0.771 . . . . 0.0 112.333 178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -68.17 -46.08 71.71 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.69 -37.31 75.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.293 1.037 . . . . 0.0 111.69 174.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -63.16 -43.94 96.86 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.279 -0.888 . . . . 0.0 110.637 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -63.84 -35.83 81.9 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.133 -0.979 . . . . 0.0 112.128 175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.6 -46.36 86.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.7 m -58.43 -36.31 73.43 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.523 1.129 . . . . 0.0 112.858 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -60.22 -40.15 89.16 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.038 0.836 . . . . 0.0 112.365 177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.425 HD12 ' CE1' ' A' ' 66' ' ' TYR . 21.9 mt -87.21 -46.76 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.611 0.764 . . . . 0.0 112.297 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -68.96 -32.29 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.432 1.093 . . . . 0.0 112.224 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 50.71 26.83 11.23 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 125.03 1.3 . . . . 0.0 115.157 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 21.3 m 53.83 21.6 2.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.984 2.114 . . . . 0.0 115.84 -177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -6.06 -73.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 C-N-CA 129.211 3.005 . . . . 0.0 116.12 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -143.78 27.07 1.52 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 127.143 2.177 . . . . 0.0 109.102 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.485 ' CE1' HG22 ' A' ' 61' ' ' ILE . 12.5 t80 -42.28 -42.87 3.25 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 129.945 3.298 . . . . 0.0 118.792 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -71.12 1.46 5.83 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 120.968 -1.083 . . . . 0.0 113.732 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 67.0 m -127.63 7.88 6.33 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.553 1.941 . . . . 0.0 114.153 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.674 ' HE2' HG23 ' A' ' 84' ' ' ILE . 13.3 mmm -58.96 -25.66 63.75 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 120.734 1.606 . . . . 0.0 113.317 177.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 20.0 ptp -101.32 -15.03 17.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 114.763 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -59.89 -16.86 32.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.539 1.536 . . . . 0.0 113.595 178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 53.3 p -63.49 -31.83 73.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.884 1.674 . . . . 0.0 112.666 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 125.78 1.632 . . . . 0.0 111.252 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.548 0.897 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 -83.76 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.243 3.296 . . . . 0.0 112.423 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.01 -25.51 67.1 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.79 0.836 . . . . 0.0 111.215 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -49.96 -36.99 30.13 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.888 1.675 . . . . 0.0 112.717 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -52.94 -45.28 67.61 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.209 0.913 . . . . 0.0 112.103 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -71.74 -48.74 44.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.05 1.34 . . . . 0.0 111.247 176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -53.73 -51.07 64.5 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.209 1.404 . . . . 0.0 112.25 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mp -63.85 -40.34 96.33 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.136 1.375 . . . . 0.0 111.022 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.4 m -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.833 0.742 . . . . 0.0 111.473 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -60.3 -41.72 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.095 0.958 . . . . 0.0 110.039 175.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -59.62 -38.16 80.56 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.352 -0.842 . . . . 0.0 112.293 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -63.51 -40.81 98.04 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.467 1.03 . . . . 0.0 110.924 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.3 m -65.4 -40.65 93.68 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 122.953 0.501 . . . . 0.0 111.035 175.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.4 mt -59.38 -48.15 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 121.4 -0.813 . . . . 0.0 109.999 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -60.1 -39.41 86.05 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 111.693 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -64.06 -42.79 96.87 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.421 0.688 . . . . 0.0 112.046 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 tp -68.05 -41.98 81.2 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.635 -0.666 . . . . 0.0 110.546 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.4 t -58.88 -44.67 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.229 1.011 . . . . 0.0 110.575 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -59.34 -54.0 51.77 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.607 0.763 . . . . 0.0 109.351 175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.51 67.47 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.9 m -67.24 -14.57 63.03 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.051 0.94 . . . . 0.0 113.223 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -113.47 -32.36 6.24 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.654 1.582 . . . . 0.0 112.349 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 14.5 t -65.61 154.63 38.23 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.317 1.847 . . . . 0.0 112.748 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -121.5 -14.26 8.26 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.527 1.531 . . . . 0.0 114.529 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -64.99 118.64 9.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.409 1.084 . . . . 0.0 111.554 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -26.49 67.12 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.28 -0.887 . . . . 0.0 112.986 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -141.05 57.0 1.55 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.344 1.857 . . . . 0.0 110.547 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.59 157.45 0.54 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.595 1.958 . . . . 0.0 113.935 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -65.92 -20.47 66.23 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.7 mt -82.51 130.69 57.92 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 123.541 0.736 . . . . 0.0 109.913 175.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -62.69 -38.61 48.76 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.754 2.303 . . . . 0.0 112.769 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -71.6 -43.61 65.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.734 -0.651 . . . . 0.0 112.37 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.3 t -49.95 -46.17 51.97 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.453 1.501 . . . . 0.0 112.482 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -53.71 -40.32 65.94 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.359 1.063 . . . . 0.0 112.42 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.28 -44.27 17.94 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.106 1.762 . . . . 0.0 111.504 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.26 -39.54 72.78 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.044 1.338 . . . . 0.0 112.745 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 43.9 mttt -64.21 -47.02 81.35 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.881 -0.512 . . . . 0.0 110.683 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -61.71 -37.86 85.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.52 0.728 . . . . 0.0 111.368 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG1' HD11 ' A' ' 60' ' ' LEU . 55.1 t -63.69 -53.35 45.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.069 1.747 . . . . 0.0 111.979 176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.64 -41.1 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 119.959 1.254 . . . . 0.0 110.788 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -57.95 -41.11 82.13 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.041 0.936 . . . . 0.0 112.15 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.4 t60 -57.76 -57.3 13.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.51 0.595 . . . . 0.0 109.693 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.8 m -58.65 -39.22 79.96 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -57.13 -20.76 27.79 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.745 2.018 . . . . 0.0 113.838 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.37 -7.27 6.43 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.051 1.31 . . . . 0.0 115.119 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.2 t -67.16 155.62 38.31 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.982 1.391 . . . . 0.0 111.993 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.74 7.51 9.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.635 1.974 . . . . 0.0 112.104 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.8 mtm180 -98.26 -61.28 1.4 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.297 1.439 . . . . 0.0 110.713 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.391 0.0 OUTLIER 43.81 -173.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 118.132 2.641 . . . . 0.0 118.132 -178.687 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.468 HG22 ' HG2' ' A' ' 58' ' ' LYS . 39.2 p -56.88 -32.83 66.25 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.574 1.549 . . . . 0.0 112.462 178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -68.85 -22.44 64.22 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.191 1.396 . . . . 0.0 113.897 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -36.04 1.16 Allowed Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.813 1.196 . . . . 0.0 115.039 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 137.51 9.29 1.19 Allowed Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.415 1.726 . . . . 0.0 117.415 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 36.2 t -53.41 127.02 48.3 Favored Pre-proline 0 CA--C 1.546 0.792 0 CA-C-N 119.853 1.827 . . . . 0.0 113.796 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.66 -26.79 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.628 1.552 . . . . 0.0 112.379 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.5 t -76.77 -59.76 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.515 1.052 . . . . 0.0 109.958 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.4 m -51.08 -49.67 60.2 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 112.84 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' HG2' HG22 ' A' ' 50' ' ' THR . 61.5 mtpt -55.81 -32.59 63.68 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.631 -0.668 . . . . 0.0 111.911 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -66.32 -47.1 74.62 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.772 0.829 . . . . 0.0 111.954 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.9 mp -60.44 -50.44 73.59 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.626 0.648 . . . . 0.0 110.173 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.5 HG22 ' CE1' ' B' ' 743' ' ' PHE . 11.3 mm -59.83 -42.02 87.64 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-O 117.716 -1.135 . . . . 0.0 111.078 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' HB1' HG11 ' B' ' 734' ' ' VAL . . . -57.83 -50.75 72.23 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.496 1.498 . . . . 0.0 109.916 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -39.9 79.37 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.387 1.475 . . . . 0.0 112.159 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 83.0 m -73.72 -40.44 63.56 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.164 1.386 . . . . 0.0 112.097 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.7 m -57.97 -45.64 86.42 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 120.468 1.486 . . . . 0.0 110.394 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -56.18 -41.16 75.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.079 1.351 . . . . 0.0 111.964 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -76.3 -53.84 7.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.265 1.026 . . . . 0.0 111.395 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.36 -30.99 61.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.897 1.679 . . . . 0.0 114.467 -178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -59.53 -37.5 78.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.135 0.974 . . . . 0.0 112.048 174.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.14 -33.9 16.07 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.056 1.343 . . . . 0.0 112.353 178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.43 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.4 t -63.04 152.84 35.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.44 1.096 . . . . 0.0 113.52 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -138.9 -1.78 1.76 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.968 1.707 . . . . 0.0 113.032 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.17 154.91 35.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.302 1.041 . . . . 0.0 111.664 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -108.55 -8.35 15.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.374 1.47 . . . . 0.0 113.095 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -121.45 17.99 11.34 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.026 2.53 . . . . 0.0 113.654 -177.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.22 138.3 57.51 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 126.071 1.748 . . . . 0.0 110.621 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -67.85 -26.84 37.87 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.917 2.412 . . . . 0.0 115.555 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -68.26 128.72 93.14 Favored Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 124.104 0.961 . . . . 0.0 109.578 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -66.41 -28.79 46.14 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 121.852 1.702 . . . . 0.0 113.975 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -89.96 -24.92 21.15 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 41.7 t -50.98 -52.37 43.35 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 119.256 0.935 . . . . 0.0 112.403 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.48 -49.62 74.67 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.208 0.603 . . . . 0.0 111.535 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -56.13 -38.74 71.22 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.969 0.908 . . . . 0.0 112.567 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.5 mt -78.32 -53.41 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 118.079 -0.962 . . . . 0.0 111.415 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.43 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 12.2 ptpt -56.51 -36.1 68.8 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.513 1.506 . . . . 0.0 113.15 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -67.04 -23.03 65.85 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -90.07 -34.95 15.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.196 0.998 . . . . 0.0 110.419 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 mt -70.99 -39.63 72.36 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 122.977 0.511 . . . . 0.0 112.104 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -50.83 -29.7 12.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.406 1.482 . . . . 0.0 114.542 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -61.11 -13.28 16.21 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.613 1.965 . . . . 0.0 113.531 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -123.67 -6.63 8.02 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.595 1.958 . . . . 0.0 113.284 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 . . . . . 0 N--CA 1.472 0.65 0 C-N-CA 125.75 1.62 . . . . 0.0 111.057 178.632 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.423 0 CA-C-O 121.187 0.326 . . . . 0.0 113.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 17.2 m -56.14 -15.1 3.22 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -131.0 16.36 5.15 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 113.533 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -62.17 151.12 36.85 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.281 -0.887 . . . . 0.0 112.967 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.6 p -73.05 -14.14 61.35 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.66 -5.38 29.1 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 17.6 m -75.84 -2.81 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 124.946 1.298 . . . . 0.0 112.598 175.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 63.9 m80 50.99 62.85 10.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 126.813 2.045 . . . . 0.0 114.006 -178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.23 -170.11 0.75 Allowed 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 124.25 3.3 . . . . 0.0 111.096 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 82.4 p -59.13 -26.79 65.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 46.49 38.02 5.0 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 126.633 1.973 . . . . 0.0 113.183 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.3 tp -59.84 142.72 52.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.111 0.964 . . . . 0.0 112.683 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -147.91 23.23 1.09 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.383 1.473 . . . . 0.0 114.423 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 27.6 p -60.97 156.45 17.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.145 1.778 . . . . 0.0 113.692 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 19.7 p -59.39 -29.69 67.9 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.25 -1.07 2.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.211 1.804 . . . . 0.0 114.675 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -114.01 -1.16 13.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.942 1.297 . . . . 0.0 113.127 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.64 -12.44 16.07 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.271 1.028 . . . . 0.0 112.832 173.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.4 mt -34.27 107.19 0.3 Allowed Pre-proline 0 CA--C 1.553 1.081 0 C-N-CA 127.777 2.431 . . . . 0.0 114.151 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.66 -11.41 22.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.049 3.166 . . . . 0.0 114.984 -176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -139.7 149.34 43.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.392 1.877 . . . . 0.0 109.739 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 12.5 p -90.56 162.7 33.15 Favored Pre-proline 0 N--CA 1.475 0.775 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -56.57 -32.46 90.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.978 2.452 . . . . 0.0 113.263 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.71 -34.0 73.28 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.968 0.907 . . . . 0.0 112.115 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -80.17 -41.82 24.59 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.422 1.089 . . . . 0.0 110.02 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -53.76 -35.81 61.7 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.479 1.111 . . . . 0.0 111.58 175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.22 -43.7 92.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.836 0.854 . . . . 0.0 112.117 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -67.45 -33.85 75.98 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.027 -1.046 . . . . 0.0 111.45 176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . 0.416 HG11 ' HB1' ' A' ' 62' ' ' ALA . 88.4 t -68.32 -46.39 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.7 t -56.51 -39.68 73.71 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.128 1.371 . . . . 0.0 112.393 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 62.5 mtt-85 -58.33 -41.81 85.38 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.429 0.692 . . . . 0.0 112.729 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 25.2 mt -84.53 -48.57 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 123.501 0.721 . . . . 0.0 112.318 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.09 -34.02 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.339 1.055 . . . . 0.0 112.489 -177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.43 25.99 21.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.094 1.331 . . . . 0.0 115.781 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.9 m 52.34 27.26 4.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.575 1.95 . . . . 0.0 115.682 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -20.39 -64.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 128.949 2.899 . . . . 0.0 116.918 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -143.95 19.9 1.79 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.397 1.879 . . . . 0.0 109.768 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.5 ' CE1' HG22 ' A' ' 61' ' ' ILE . 4.4 t80 -38.66 -46.65 1.25 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 128.859 2.864 . . . . 0.0 118.689 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.11 1.41 5.87 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 72.5 m -130.01 8.08 5.17 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.262 2.225 . . . . 0.0 114.04 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.9 mmm -55.68 -25.67 40.86 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.534 1.516 . . . . 0.0 113.136 177.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 9.5 mtt -100.8 -1.37 35.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.159 1.784 . . . . 0.0 113.938 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -59.88 -14.96 17.76 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -176.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 6.9 m -58.01 -29.78 65.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.214 1.406 . . . . 0.0 112.982 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 126.38 1.872 . . . . 0.0 112.879 179.208 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -67.34 -75.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.99 3.126 . . . . 0.0 112.424 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -71.57 -30.24 65.62 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.667 -0.646 . . . . 0.0 110.287 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -56.38 -39.24 72.62 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.744 0.818 . . . . 0.0 112.495 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -56.09 -39.14 71.67 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.826 1.194 . . . . 0.0 112.235 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -71.17 -53.31 14.94 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.805 0.842 . . . . 0.0 110.942 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -53.3 -44.88 68.7 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.947 1.699 . . . . 0.0 113.155 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.53 -33.06 62.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.151 1.38 . . . . 0.0 111.999 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -68.01 -38.89 83.14 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.035 0.834 . . . . 0.0 112.21 175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.5 mt -57.47 -35.81 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.52 1.128 . . . . 0.0 111.063 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -54.91 -42.86 72.7 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.506 -0.746 . . . . 0.0 112.535 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 mtm-85 -60.79 -39.69 89.83 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.76 0.824 . . . . 0.0 111.682 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.4 -41.23 85.27 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.397 0.679 . . . . 0.0 110.804 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.25 -48.97 86.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.386 0.675 . . . . 0.0 109.747 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -59.0 -40.34 84.6 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.42 0.555 . . . . 0.0 111.685 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -63.7 -43.98 95.02 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.381 0.672 . . . . 0.0 112.224 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -68.86 -41.55 78.25 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.577 -0.702 . . . . 0.0 110.952 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -59.46 -44.76 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.254 1.021 . . . . 0.0 110.362 175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -59.33 -54.78 42.85 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.458 0.703 . . . . 0.0 109.356 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.43 -33.1 63.27 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.4 m -67.01 -25.65 66.4 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.626 0.77 . . . . 0.0 112.606 177.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -99.19 -32.15 11.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.418 1.487 . . . . 0.0 111.49 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.26 154.56 41.77 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.807 1.643 . . . . 0.0 112.354 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.2 mmt-85 -134.57 -9.11 2.48 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.983 1.713 . . . . 0.0 113.849 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.61 121.18 10.36 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.977 1.311 . . . . 0.0 110.744 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -22.52 66.73 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -139.96 48.67 1.79 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.402 1.881 . . . . 0.0 111.028 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.38 148.23 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.227 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -63.91 -15.95 60.29 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.6 mt -83.15 127.69 68.05 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 119.007 0.821 . . . . 0.0 109.862 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -65.24 -32.63 51.24 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.655 2.237 . . . . 0.0 112.156 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.4 p -72.3 -45.99 57.65 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.194 0.998 . . . . 0.0 111.98 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 52.4 t -49.4 -48.42 47.15 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.657 1.583 . . . . 0.0 112.344 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -56.13 -32.29 64.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.242 1.017 . . . . 0.0 113.245 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -88.01 -42.65 12.29 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.129 1.772 . . . . 0.0 111.934 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.05 -40.41 76.74 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.21 1.404 . . . . 0.0 111.817 177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 58.3 mttt -60.93 -45.34 95.08 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.413 0.685 . . . . 0.0 110.982 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.59 -40.76 97.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.711 0.805 . . . . 0.0 111.43 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -62.0 -53.69 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.152 0.981 . . . . 0.0 111.583 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -63.09 -43.29 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.816 0.734 . . . . 0.0 110.734 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -56.21 -43.18 78.28 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.731 1.212 . . . . 0.0 112.238 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.07 -56.93 15.54 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 118.235 0.47 . . . . 0.0 110.246 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.7 m -60.26 -34.89 74.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.476 1.11 . . . . 0.0 113.002 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -59.07 -10.37 2.61 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 113.753 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.17 21.24 1.4 Allowed Glycine 0 CA--C 1.539 1.592 0 C-N-CA 125.563 1.554 . . . . 0.0 114.638 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 39.0 t -62.66 159.08 16.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.081 1.441 . . . . 0.0 113.061 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.96 4.43 10.46 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.84 2.456 . . . . 0.0 111.89 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 20.4 mtm180 -119.88 -56.69 2.01 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.44 1.896 . . . . 0.0 111.339 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.328 6.0 ptpt 40.51 -177.56 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 130.665 3.586 . . . . 0.0 117.265 -176.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -64.15 -26.29 68.47 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 119.828 -1.795 . . . . 0.0 112.865 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -69.72 -18.05 63.5 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.508 1.123 . . . . 0.0 113.449 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.42 -36.71 0.78 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.917 1.246 . . . . 0.0 114.709 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.78 12.08 0.34 Allowed Glycine 0 CA--C 1.539 1.576 0 N-CA-C 117.922 1.929 . . . . 0.0 117.922 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 24.2 t -59.03 127.74 84.09 Favored Pre-proline 0 CA--C 1.544 0.746 0 CA-C-N 120.207 2.004 . . . . 0.0 113.176 -179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.86 -28.78 7.52 Favored 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 121.697 1.598 . . . . 0.0 111.551 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.35 -54.86 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.325 0.966 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.6 m -53.12 -53.62 47.76 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.16 0.584 . . . . 0.0 110.837 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.4 tttt -54.91 -28.98 54.86 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -68.66 -55.7 10.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.334 -0.841 . . . . 0.0 112.244 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -67.07 -32.63 73.94 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.893 1.224 . . . . 0.0 110.83 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.757 HG22 ' CE1' ' B' ' 743' ' ' PHE . 18.2 mm -63.29 -39.49 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.535 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.59 -51.95 67.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 119.505 1.048 . . . . 0.0 109.445 172.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.65 -46.84 77.41 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.506 1.922 . . . . 0.0 112.704 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 98.8 m -69.05 -39.85 78.89 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.295 1.438 . . . . 0.0 111.429 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 69.6 m -61.91 -43.2 99.33 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.227 1.376 . . . . 0.0 111.115 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 11.9 t80 -55.06 -42.25 72.48 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.916 0.886 . . . . 0.0 111.796 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -73.79 -54.89 7.01 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.924 0.889 . . . . 0.0 111.405 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.65 -32.67 63.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.778 1.631 . . . . 0.0 115.07 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -60.27 -36.69 78.37 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.891 0.769 . . . . 0.0 111.724 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -90.01 -30.13 17.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.169 1.388 . . . . 0.0 113.001 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 t -65.1 154.33 38.22 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.888 1.275 . . . . 0.0 113.092 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -139.6 -4.33 1.43 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.531 1.533 . . . . 0.0 113.457 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -78.69 152.42 31.62 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.026 -1.046 . . . . 0.0 111.632 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -104.27 -7.02 20.34 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.428 1.491 . . . . 0.0 113.514 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 80.1 mttt -119.9 15.92 12.57 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.67 2.388 . . . . 0.0 113.487 -177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.19 137.67 38.13 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 126.139 1.775 . . . . 0.0 110.944 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.61 -26.58 46.3 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.556 2.17 . . . . 0.0 115.239 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.39 123.46 89.42 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.766 0.826 . . . . 0.0 109.305 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -64.86 -35.52 44.26 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.217 1.944 . . . . 0.0 113.287 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -76.95 -30.1 55.88 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.405 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 44.8 t -50.57 -51.87 44.25 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 120.008 1.276 . . . . 0.0 112.673 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.79 -51.75 67.01 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.741 -0.6 . . . . 0.0 111.477 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -55.33 -38.38 68.65 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.53 0.732 . . . . 0.0 111.99 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.9 mt -74.13 -57.46 6.63 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.139 0 CA-C-O 117.714 -1.136 . . . . 0.0 111.195 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.405 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 13.2 ptpt -55.54 -38.76 69.71 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 121.083 1.765 . . . . 0.0 113.807 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -67.41 -27.86 67.42 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -89.79 -32.32 17.0 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.251 1.42 . . . . 0.0 112.036 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.98 -42.77 76.1 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.243 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.292 0.0 OUTLIER 27.41 45.7 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 128.777 2.831 . . . . 0.0 117.526 176.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 55.64 26.5 9.32 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.52 3.128 . . . . 0.0 114.815 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -39.22 93.49 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.944 1.698 . . . . 0.0 114.232 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.727 2.011 . . . . 0.0 112.739 -179.164 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.857 0.703 . . . . 0.0 114.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 24.1 m 57.5 18.62 4.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.765 2.026 . . . . 0.0 115.852 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 43.3 p-80 -151.51 172.86 15.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.493 1.517 . . . . 0.0 111.911 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 24.6 mmt -137.89 163.8 30.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.957 1.703 . . . . 0.0 111.196 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 78.3 p -152.44 173.54 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.487 1.515 . . . . 0.0 112.015 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -72.66 50.26 0.24 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 126.823 2.049 . . . . 0.0 114.644 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.98 -11.97 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 C-N-CA 126.125 1.77 . . . . 0.0 115.283 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -153.79 140.8 13.19 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 126.896 2.078 . . . . 0.0 108.797 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -52.25 -48.73 20.25 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.061 3.174 . . . . 0.0 115.61 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 41.0 m 61.03 3.32 0.66 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.124 2.57 . . . . 0.0 116.287 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.97 164.81 18.57 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.487 2.315 . . . . 0.0 110.444 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.18 149.14 38.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.464 1.106 . . . . 0.0 111.533 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.21 6.04 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.336 1.454 . . . . 0.0 114.372 -178.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 10.3 t -150.79 -175.28 5.06 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.428 1.891 . . . . 0.0 111.065 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.4 p 97.4 -16.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.657 1 C-N-CA 132.781 4.433 . . . . 0.0 113.986 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -60.33 0.67 0.16 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.379 2.272 . . . . 0.0 116.575 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -120.51 -0.37 10.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.443 1.497 . . . . 0.0 112.725 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 59.2 mt -64.03 -16.67 62.17 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.397 -0.814 . . . . 0.0 112.355 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -36.94 104.18 0.27 Allowed Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 128.119 2.568 . . . . 0.0 113.547 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -80.18 -3.36 12.6 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.99 3.127 . . . . 0.0 115.412 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.7 ttp -141.71 149.07 40.06 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.788 1.635 . . . . 0.0 109.986 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 83.8 p -89.29 158.62 46.09 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.001 0.92 . . . . 0.0 113.401 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.94 -34.56 77.02 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.326 2.684 . . . . 0.0 114.046 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.13 -32.81 73.36 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.762 0.825 . . . . 0.0 112.767 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.41 -45.13 15.21 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.738 1.215 . . . . 0.0 109.384 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -53.11 -33.46 52.39 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.442 1.497 . . . . 0.0 112.149 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -63.16 -46.86 85.19 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.513 1.125 . . . . 0.0 112.043 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -68.53 -29.54 68.15 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.209 -0.932 . . . . 0.0 111.269 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.13 -50.79 55.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.628 -0.67 . . . . 0.0 109.381 173.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.1 m -57.3 -37.65 72.77 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.736 1.214 . . . . 0.0 112.402 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -54.4 -39.19 67.04 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.903 1.681 . . . . 0.0 112.615 177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.1 mt -89.69 -46.48 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.35 1.06 . . . . 0.0 111.96 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.94 -36.05 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.093 0.957 . . . . 0.0 111.865 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 48.01 37.49 16.27 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.92 1.724 . . . . 0.0 115.507 177.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 48.56 30.5 2.49 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.761 2.024 . . . . 0.0 115.599 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.7 p -31.67 -62.11 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 128.399 2.68 . . . . 0.0 116.256 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -143.22 6.76 1.54 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 127.833 2.453 . . . . 0.0 110.723 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.757 ' CE1' HG22 ' A' ' 61' ' ' ILE . 1.3 t80 -36.58 -46.77 0.6 Allowed 'General case' 0 CA--C 1.537 0.474 1 C-N-CA 132.372 4.269 . . . . 0.0 120.139 -169.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -74.54 10.41 1.35 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 10.1 t -140.11 10.49 2.36 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.891 1.676 . . . . 0.0 114.138 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 9.6 mmm -56.71 -27.44 59.05 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 119.737 -1.852 . . . . 0.0 114.547 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -79.02 1.52 23.67 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.512 1.525 . . . . 0.0 113.594 178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -115.92 0.26 13.03 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -173.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.2 m -59.23 -38.37 79.82 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.235 1.379 . . . . 0.0 113.363 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.477 0.892 0 C-N-CA 125.71 1.604 . . . . 0.0 110.706 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.1 p . . . . . 0 CA--C 1.55 0.977 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.6 -65.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.896 3.064 . . . . 0.0 113.341 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -90.12 -21.12 22.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 111.223 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.48 -35.33 60.47 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.513 1.525 . . . . 0.0 112.148 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 t -51.77 -42.96 62.79 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.685 0.794 . . . . 0.0 111.774 175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -70.95 -48.56 52.72 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.092 0.957 . . . . 0.0 111.604 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -53.7 -50.56 65.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.185 1.394 . . . . 0.0 111.923 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.76 -32.57 73.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.345 1.458 . . . . 0.0 112.115 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.2 m -70.13 -42.45 72.57 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.008 0.822 . . . . 0.0 111.215 174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mt -57.66 -39.29 69.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.581 1.152 . . . . 0.0 110.711 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -58.26 -34.93 71.02 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.34 -0.85 . . . . 0.0 112.792 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -66.31 -40.33 89.91 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.165 -0.959 . . . . 0.0 110.657 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.08 -41.67 94.81 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.549 0.74 . . . . 0.0 110.504 175.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.91 -49.61 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.915 0.886 . . . . 0.0 110.052 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -59.86 -39.57 85.66 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.939 0.79 . . . . 0.0 111.942 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.39 -43.72 96.77 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.444 0.698 . . . . 0.0 111.866 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.2 tp -68.4 -42.9 78.36 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.753 -0.592 . . . . 0.0 110.711 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.8 t -58.09 -44.21 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.486 1.114 . . . . 0.0 110.48 175.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -59.8 -53.81 53.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.473 0.709 . . . . 0.0 109.624 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.53 -33.78 66.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -68.06 -14.01 62.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.247 1.019 . . . . 0.0 113.33 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -115.18 -21.79 9.78 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.994 1.718 . . . . 0.0 112.726 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.49 168.2 16.72 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.75 1.62 . . . . 0.0 113.096 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -141.08 -16.15 0.86 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.974 2.11 . . . . 0.0 113.734 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.94 120.13 10.19 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.287 1.035 . . . . 0.0 111.452 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.82 -22.06 66.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -140.89 50.73 1.64 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 126.706 2.002 . . . . 0.0 110.446 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -49.36 148.52 2.62 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.755 1.622 . . . . 0.0 113.202 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.9 p -65.62 -15.96 63.26 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.0 mt -83.28 131.27 53.7 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.965 0.802 . . . . 0.0 110.24 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -65.14 -39.04 25.05 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 122.634 2.222 . . . . 0.0 112.438 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.0 m -72.02 -39.96 68.79 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 118.668 -0.682 . . . . 0.0 112.636 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.4 t -50.55 -46.36 57.47 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.628 1.571 . . . . 0.0 111.88 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -57.35 -29.15 63.76 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.987 1.315 . . . . 0.0 113.219 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -90.1 -44.73 9.61 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.062 1.745 . . . . 0.0 111.685 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -56.2 -38.67 71.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.552 1.541 . . . . 0.0 112.477 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -64.33 -44.74 90.6 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.009 0.524 . . . . 0.0 111.253 175.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -63.71 -39.39 94.18 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 118.962 0.801 . . . . 0.0 111.388 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG13 HD11 ' A' ' 60' ' ' LEU . 9.9 t -60.93 -55.7 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 126.274 1.83 . . . . 0.0 112.103 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -63.54 -42.69 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 110.361 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -55.65 -43.66 76.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.842 1.257 . . . . 0.0 112.49 175.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -60.74 -56.52 20.2 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.602 0.637 . . . . 0.0 110.132 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -59.09 -36.4 75.07 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.272 0.842 . . . . 0.0 113.272 -177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -60.03 -10.53 4.33 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.507 1.923 . . . . 0.0 113.899 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.12 15.14 1.91 Allowed Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.096 1.331 . . . . 0.0 115.125 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.9 t -57.34 157.39 6.55 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.325 1.562 . . . . 0.0 113.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -118.01 3.62 12.12 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 127.389 2.276 . . . . 0.0 112.214 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -133.64 -53.89 0.88 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.381 1.072 . . . . 0.0 112.574 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.495 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.392 0.7 OUTLIER 41.43 -162.21 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.278 2.231 . . . . 0.0 116.393 -178.37 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -60.56 -28.62 68.59 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 120.457 -1.402 . . . . 0.0 113.202 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -67.26 -34.06 76.64 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.541 1.136 . . . . 0.0 113.202 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.74 -34.74 3.7 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.884 1.231 . . . . 0.0 114.804 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.05 14.06 1.3 Allowed Glycine 0 CA--C 1.536 1.406 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 51.4 t -57.22 126.78 75.03 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 119.188 1.494 . . . . 0.0 112.403 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -78.81 -22.85 8.59 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.831 1.688 . . . . 0.0 111.844 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.9 t -75.26 -60.44 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 117.369 -1.3 . . . . 0.0 110.057 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.2 m -48.39 -53.76 16.49 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.641 1.109 . . . . 0.0 112.266 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.6 tttt -54.37 -31.57 55.04 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.985 1.314 . . . . 0.0 113.359 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.49 -43.39 85.48 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.953 0.901 . . . . 0.0 111.802 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 HG13 ' A' ' 39' ' ' VAL . 6.4 mp -64.84 -49.63 69.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.601 0.637 . . . . 0.0 110.099 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.409 HG22 ' CE1' ' B' ' 743' ' ' PHE . 13.2 mm -53.81 -44.65 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.908 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.3 -53.06 62.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.622 1.101 . . . . 0.0 110.63 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.29 -45.82 76.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.408 1.483 . . . . 0.0 111.521 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.7 m -69.06 -38.42 79.07 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.802 1.241 . . . . 0.0 112.216 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 30.0 m -60.57 -45.78 92.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 120.841 1.655 . . . . 0.0 110.608 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CE1' HD12 ' B' ' 737' ' ' ILE . 12.2 t80 -53.22 -40.28 64.38 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.223 1.009 . . . . 0.0 111.965 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -77.57 -56.06 4.84 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.552 1.141 . . . . 0.0 111.672 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.03 -31.11 62.82 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.772 1.629 . . . . 0.0 115.007 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -56.34 -46.0 80.13 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 118.98 0.809 . . . . 0.0 111.585 175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -90.19 -27.34 19.61 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.414 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 10.0 t -60.67 144.11 52.71 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.147 0.885 . . . . 0.0 113.316 -177.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -121.93 -7.24 8.97 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.795 1.238 . . . . 0.0 113.989 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.2 tp10 -76.07 154.87 35.29 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.153 -0.967 . . . . 0.0 112.054 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -112.35 -5.72 14.1 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.537 1.535 . . . . 0.0 112.748 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 29.2 mmtp -119.7 16.28 12.75 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 128.08 2.552 . . . . 0.0 112.906 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.29 136.6 30.44 Favored Pre-proline 0 CA--C 1.559 1.308 0 C-N-CA 126.719 2.008 . . . . 0.0 111.513 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.24 -27.35 34.92 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.563 2.175 . . . . 0.0 114.896 -176.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.6 t -67.43 124.75 89.9 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 123.837 0.855 . . . . 0.0 109.359 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -64.63 -31.16 60.04 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 121.666 1.577 . . . . 0.0 113.297 -177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -81.53 -26.49 35.05 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 115.687 1.736 . . . . 0.0 115.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 44.0 t -54.07 -55.21 29.62 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.853 1.206 . . . . 0.0 111.727 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD22 ' H ' ' A' ' 82' ' ' LEU . 1.9 mm? -58.84 -46.04 88.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.057 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -59.84 -45.91 90.91 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.75 1.22 . . . . 0.0 112.998 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.5 mt -74.89 -51.56 21.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 123.698 0.799 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 4.5 ptmt -54.38 -38.06 65.69 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.553 1.069 . . . . 0.0 112.56 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -58.7 -47.03 85.93 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.891 0.769 . . . . 0.0 111.634 175.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -66.3 -43.92 84.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.146 0.579 . . . . 0.0 112.032 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.2 mt -65.64 -47.13 76.63 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.856 0.753 . . . . 0.0 112.471 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -67.39 -45.81 75.14 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.328 1.051 . . . . 0.0 112.9 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -64.51 -30.5 71.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -81.7 -8.81 59.74 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.359 1.064 . . . . 0.0 113.044 176.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 N--CA 1.47 0.55 0 C-N-CA 126.33 1.852 . . . . 0.0 110.358 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.343 0 N-CA-C 114.69 0.636 . . . . 0.0 114.69 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 19.9 m -58.78 -33.96 70.91 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.28 1.432 . . . . 0.0 114.252 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -158.74 -175.7 5.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.895 1.678 . . . . 0.0 110.856 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -50.76 -12.41 0.1 Allowed 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 88.8 p -68.72 -14.59 63.12 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.182 1.355 . . . . 0.0 112.92 174.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -138.56 -174.67 3.88 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.626 2.771 . . . . 0.0 109.98 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.29 104.39 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.373 1.069 . . . . 0.0 110.061 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -146.37 71.82 13.05 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 125.518 1.527 . . . . 0.0 110.667 -176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.12 178.78 6.11 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.066 3.178 . . . . 0.0 113.875 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 44.5 p -69.53 170.22 11.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.847 1.659 . . . . 0.0 113.207 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -121.36 170.48 9.59 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.872 2.069 . . . . 0.0 111.241 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -144.42 167.04 23.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.928 1.691 . . . . 0.0 112.747 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -143.87 148.7 35.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.041 1.736 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.8 p -72.83 162.99 28.81 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.606 0.762 . . . . 0.0 111.554 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.9 p -62.75 -7.73 5.48 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -113.27 3.26 15.88 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.577 1.951 . . . . 0.0 112.315 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -126.37 4.03 6.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.001 1.72 . . . . 0.0 112.706 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 30.2 mt -54.95 -24.65 24.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.935 0.894 . . . . 0.0 109.772 170.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.8 mt -31.35 103.12 0.2 Allowed Pre-proline 0 CA--C 1.552 1.042 0 C-N-CA 128.582 2.753 . . . . 0.0 113.572 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.92 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.23 3.287 . . . . 0.0 115.281 -175.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.8 ttp -145.9 146.01 30.92 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.639 1.576 . . . . 0.0 110.702 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 56.6 m -79.34 159.47 72.45 Favored Pre-proline 0 N--CA 1.477 0.879 0 C-N-CA 125.274 1.43 . . . . 0.0 112.382 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -35.61 87.73 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.493 2.129 . . . . 0.0 113.708 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -33.51 73.61 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.245 -0.909 . . . . 0.0 111.967 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -73.96 -47.09 39.89 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.411 1.084 . . . . 0.0 109.388 175.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -56.01 -36.36 67.85 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.57 1.148 . . . . 0.0 111.626 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -66.1 -47.63 73.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.359 -0.838 . . . . 0.0 110.895 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.04 -32.38 72.0 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.108 -0.995 . . . . 0.0 111.826 174.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.66 -49.1 73.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 119.029 0.831 . . . . 0.0 109.048 172.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 51.6 m -57.85 -35.37 70.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.764 1.226 . . . . 0.0 113.35 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -57.24 -40.14 76.99 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.996 0.918 . . . . 0.0 111.693 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.506 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.5 mt -86.95 -46.21 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.02 0.928 . . . . 0.0 112.078 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.99 -32.92 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.313 1.045 . . . . 0.0 111.907 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 46.61 31.01 4.93 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.849 1.69 . . . . 0.0 115.982 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.5 m 52.72 30.45 8.87 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.338 1.855 . . . . 0.0 115.434 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -28.02 -62.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 C-N-CA 127.808 2.443 . . . . 0.0 116.18 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -145.65 17.96 1.48 Allowed 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.935 2.094 . . . . 0.0 109.522 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.409 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.3 t80 -40.07 -50.1 2.59 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 118.847 2.906 . . . . 0.0 118.847 -169.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -71.38 -1.46 13.11 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.3 m -118.44 2.82 11.86 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.903 2.081 . . . . 0.0 113.363 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 3.7 mmm -54.44 -34.17 60.94 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 120.4 1.455 . . . . 0.0 112.169 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 66.4 mtm -98.58 1.1 46.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -58.61 -37.4 75.79 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.551 1.069 . . . . 0.0 112.881 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 26.0 m -69.62 -22.67 63.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.504 1.522 . . . . 0.0 113.077 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 126.52 1.928 . . . . 0.0 111.201 -177.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -67.77 -62.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.903 3.069 . . . . 0.0 113.162 -176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -90.13 -27.03 19.89 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.496 1.118 . . . . 0.0 111.079 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -51.29 -36.86 44.36 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.392 1.877 . . . . 0.0 113.701 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -54.65 -44.96 73.69 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.778 1.172 . . . . 0.0 111.624 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -68.09 -49.44 61.24 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.859 0.864 . . . . 0.0 111.53 175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.49 -48.87 71.34 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.165 1.386 . . . . 0.0 112.526 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.81 -39.91 83.9 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.857 1.263 . . . . 0.0 111.192 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -62.72 -40.35 96.9 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.083 0.856 . . . . 0.0 111.372 175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.94 -43.45 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 109.432 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -60.54 -38.63 85.11 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.188 -0.945 . . . . 0.0 112.243 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -63.14 -39.07 93.6 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.715 1.143 . . . . 0.0 110.954 174.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.3 m -65.22 -41.07 94.81 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.153 0.581 . . . . 0.0 110.93 175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -59.87 -48.46 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.944 0.897 . . . . 0.0 109.74 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -60.21 -40.36 89.85 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 118.687 0.676 . . . . 0.0 111.819 176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.5 m -63.22 -43.31 98.46 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.517 0.727 . . . . 0.0 111.914 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.6 -43.96 79.23 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.773 -0.579 . . . . 0.0 110.557 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 t -57.89 -44.62 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.305 1.042 . . . . 0.0 110.61 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -59.06 -55.43 35.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.592 0.757 . . . . 0.0 109.483 174.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.93 -33.66 64.92 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.44 -20.66 66.11 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.921 0.889 . . . . 0.0 113.11 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -107.66 -32.6 7.59 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.681 1.592 . . . . 0.0 111.852 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 33.9 t -67.17 146.38 54.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.29 1.836 . . . . 0.0 111.66 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -116.28 -10.54 11.39 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.704 1.602 . . . . 0.0 113.695 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.8 115.85 5.2 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.596 1.158 . . . . 0.0 111.28 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.6 -26.38 65.4 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -141.66 55.83 1.5 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.085 1.754 . . . . 0.0 110.914 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.39 159.61 0.31 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.639 1.976 . . . . 0.0 114.312 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -65.56 -21.18 66.57 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.35 130.94 57.33 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.643 0.777 . . . . 0.0 110.254 175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -64.54 -31.94 59.72 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 122.85 2.367 . . . . 0.0 112.863 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -75.25 -46.48 33.42 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.048 0.939 . . . . 0.0 112.267 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 45.5 t -49.37 -46.13 46.75 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.769 1.628 . . . . 0.0 112.55 178.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -52.49 -39.84 61.68 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.947 1.299 . . . . 0.0 112.651 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -84.03 -43.95 14.62 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 126.28 1.832 . . . . 0.0 111.475 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 mmt -54.25 -44.38 71.74 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.754 1.222 . . . . 0.0 112.383 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 20.0 mttp -61.92 -41.48 97.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.872 0.76 . . . . 0.0 112.543 175.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.8 mtt85 -67.96 -37.62 81.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.258 1.023 . . . . 0.0 111.225 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' CG1' HD11 ' A' ' 60' ' ' LEU . 56.0 t -63.33 -50.3 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.036 1.334 . . . . 0.0 110.218 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.38 -58.68 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.825 1.25 . . . . 0.0 109.315 175.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -46.4 -48.31 18.71 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.305 1.442 . . . . 0.0 112.64 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -57.7 -57.09 14.28 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.604 1.093 . . . . 0.0 110.671 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -60.52 -32.95 71.95 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.862 0.865 . . . . 0.0 113.234 -176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -59.59 -10.8 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.023 1.729 . . . . 0.0 113.874 174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.68 18.55 1.12 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.324 -1.265 . . . . 0.0 115.285 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.89 146.31 32.46 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 119.112 1.456 . . . . 0.0 112.89 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -97.97 2.14 48.67 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.016 1.726 . . . . 0.0 112.941 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -135.79 -46.63 0.66 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 178.298 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.1 OUTLIER 44.6 -165.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 -178.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.4 p -58.33 -30.19 66.51 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 120.169 -1.582 . . . . 0.0 113.129 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.63 -34.65 77.4 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.569 1.148 . . . . 0.0 113.458 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.45 -32.41 4.87 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.782 1.182 . . . . 0.0 114.842 -178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.81 12.15 1.36 Allowed Glycine 0 CA--C 1.538 1.485 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.437 ' HB2' ' HG2' ' A' ' 48' ' ' ARG . 49.7 t -55.65 125.77 62.0 Favored Pre-proline 0 C--O 1.241 0.656 0 CA-C-N 119.546 1.673 . . . . 0.0 113.207 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -80.24 -18.6 9.75 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 121.696 1.598 . . . . 0.0 112.134 175.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.2 t -82.58 -58.67 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 120.037 1.289 . . . . 0.0 110.441 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.7 m -49.46 -49.38 45.67 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.696 1.135 . . . . 0.0 112.225 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -59.03 -24.94 63.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.979 1.312 . . . . 0.0 113.463 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -77.7 -44.34 28.25 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.652 1.181 . . . . 0.0 113.142 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.7 mp -59.46 -46.68 88.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 119.283 0.947 . . . . 0.0 110.45 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' CE1' ' B' ' 743' ' ' PHE . 82.1 mt -61.19 -37.94 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 125.201 1.4 . . . . 0.0 112.019 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.2 69.21 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.122 1.328 . . . . 0.0 109.283 174.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.63 -42.01 70.71 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.948 1.699 . . . . 0.0 111.533 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.2 m -73.87 -39.55 63.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.125 1.37 . . . . 0.0 112.553 176.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 40.1 m -57.72 -45.28 85.97 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.95 1.705 . . . . 0.0 110.6 175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.7 t80 -52.48 -35.29 52.38 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.946 1.298 . . . . 0.0 112.591 177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -86.13 -54.53 4.41 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.418 1.487 . . . . 0.0 111.761 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.83 -29.58 60.03 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.764 1.625 . . . . 0.0 115.104 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -55.71 -48.26 75.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.171 0.896 . . . . 0.0 111.429 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.18 -25.87 20.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.702 1.601 . . . . 0.0 114.978 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.4 t -60.76 147.75 41.38 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.464 0.706 . . . . 0.0 111.868 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -131.89 2.01 4.0 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.613 1.165 . . . . 0.0 113.288 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -81.93 155.54 25.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.028 0.931 . . . . 0.0 111.073 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -111.43 -5.88 14.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.862 1.265 . . . . 0.0 113.35 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -123.18 18.94 9.93 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.236 2.614 . . . . 0.0 113.018 -178.324 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.6 136.96 43.19 Favored Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 126.58 1.952 . . . . 0.0 110.88 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.85 -26.39 32.12 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.753 2.302 . . . . 0.0 115.22 -175.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.9 t -65.92 127.28 93.03 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 124.013 0.925 . . . . 0.0 109.929 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.89 -30.01 58.04 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 121.956 1.771 . . . . 0.0 113.72 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -86.35 -28.39 23.68 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 32.7 t -49.47 -57.31 7.25 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.7 1.136 . . . . 0.0 112.018 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.73 -47.72 83.97 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 122.873 0.469 . . . . 0.0 112.112 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -56.57 -41.63 77.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.375 0.67 . . . . 0.0 112.676 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.499 HG23 ' HE1' ' B' ' 746' ' ' MET . 88.3 mt -74.07 -52.41 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 123.826 0.85 . . . . 0.0 110.264 177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -48.4 -46.79 37.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.809 2.044 . . . . 0.0 112.174 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -55.36 -40.92 71.88 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.84 0.856 . . . . 0.0 112.434 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -76.12 -44.68 37.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.706 0.685 . . . . 0.0 111.299 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mt -59.7 -42.49 93.13 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -74.92 -31.36 61.51 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.547 1.139 . . . . 0.0 113.73 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -81.17 -35.31 31.59 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -73.47 155.48 39.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.742 0.817 . . . . 0.0 112.06 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 125.439 1.496 . . . . 0.0 111.332 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 27.2 m -65.72 -21.33 66.52 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.2 m80 56.95 -177.86 0.05 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 126.476 1.911 . . . . 0.0 114.395 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 55.6 ttm -132.64 -0.54 3.51 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.799 1.64 . . . . 0.0 112.331 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 36.6 p -59.48 -5.15 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -148.09 17.51 1.09 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 8.0 m -38.52 127.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 125.927 1.691 . . . . 0.0 115.172 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -145.45 61.86 8.15 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.288 1.435 . . . . 0.0 113.404 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -71.43 -179.43 3.64 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.49 2.793 . . . . 0.0 113.14 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 83.8 p -138.25 10.65 2.78 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.544 1.538 . . . . 0.0 114.793 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -140.66 179.72 6.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.713 2.005 . . . . 0.0 110.996 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.19 2.14 0.62 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -76.46 -4.18 41.19 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.2 m -51.69 139.42 21.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.435 1.494 . . . . 0.0 113.234 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 2.7 p -57.87 112.31 1.44 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.451 1.9 . . . . 0.0 113.579 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -146.23 5.05 0.95 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.731 1.612 . . . . 0.0 115.025 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -122.63 0.91 9.41 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.444 1.098 . . . . 0.0 113.678 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.02 -12.68 27.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.012 0.925 . . . . 0.0 111.798 172.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.7 mt -32.16 106.15 0.25 Allowed Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 128.509 2.724 . . . . 0.0 114.276 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -77.67 -5.41 15.4 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.871 3.047 . . . . 0.0 114.773 -176.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.8 ttp -145.31 147.19 32.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.674 1.59 . . . . 0.0 110.369 -177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 10.2 p -89.31 162.98 35.53 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.183 0.993 . . . . 0.0 113.668 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 -33.4 95.59 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.043 2.495 . . . . 0.0 113.313 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.68 -35.41 75.09 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 111.866 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -76.47 -44.44 35.45 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.428 -0.795 . . . . 0.0 109.615 175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -54.09 -36.45 63.18 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.209 1.404 . . . . 0.0 112.284 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.39 -44.66 95.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.347 1.059 . . . . 0.0 111.908 175.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -70.86 -29.55 65.7 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.379 -0.825 . . . . 0.0 111.63 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.82 -49.56 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.7 m -56.16 -38.47 70.93 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.839 1.256 . . . . 0.0 112.804 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 29.2 ttm105 -57.65 -36.9 72.48 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.723 1.209 . . . . 0.0 113.138 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.479 HD12 ' CE1' ' A' ' 66' ' ' TYR . 37.8 mt -89.37 -45.41 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.445 1.098 . . . . 0.0 111.875 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 88.0 t -64.96 -31.68 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 124.745 1.218 . . . . 0.0 112.298 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.45 26.88 24.06 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.457 1.503 . . . . 0.0 115.827 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 50.6 33.19 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.442 1.897 . . . . 0.0 115.396 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -31.72 -60.98 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 127.73 2.412 . . . . 0.0 116.056 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -146.42 17.88 1.34 Allowed 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.861 2.064 . . . . 0.0 109.743 177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.421 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.3 t80 -37.39 -52.29 1.12 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -169.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.16 -3.44 16.8 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 121.174 -0.954 . . . . 0.0 113.485 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 61.8 m -123.54 12.51 9.33 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.373 2.269 . . . . 0.0 113.819 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.499 ' HE1' HG23 ' A' ' 84' ' ' ILE . 7.4 mmm -55.63 -21.45 17.86 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 120.38 1.445 . . . . 0.0 113.593 176.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 61.2 mtm -102.7 0.36 32.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.477 1.911 . . . . 0.0 113.883 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -69.36 147.5 50.98 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.206 -0.934 . . . . 0.0 112.207 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 10.5 m -59.79 -30.84 69.17 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.498 1.519 . . . . 0.0 113.755 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 t . . . . . 0 N--CA 1.477 0.879 0 C-N-CA 126.065 1.746 . . . . 0.0 110.376 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.49 -77.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 123.856 3.037 . . . . 0.0 112.303 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -69.8 -27.66 65.09 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.505 -0.747 . . . . 0.0 110.837 175.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.64 -42.47 83.49 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.605 -0.684 . . . . 0.0 111.936 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -56.1 -43.06 77.74 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.905 0.775 . . . . 0.0 111.742 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -63.59 -56.4 16.2 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.985 0.914 . . . . 0.0 110.979 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.11 -45.79 68.44 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.317 1.847 . . . . 0.0 113.2 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.4 mt -74.4 -33.68 63.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.919 1.288 . . . . 0.0 112.347 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -67.74 -38.34 83.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.913 0.779 . . . . 0.0 111.786 175.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.85 -36.56 56.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.865 0.866 . . . . 0.0 111.14 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -56.68 -36.16 69.27 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.387 -0.821 . . . . 0.0 112.581 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.66 -43.49 96.58 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.941 0.897 . . . . 0.0 110.437 177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -66.23 -40.0 89.97 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.95 0.9 . . . . 0.0 111.128 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.74 -49.96 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 118.745 0.702 . . . . 0.0 110.124 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -61.34 -38.51 87.17 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.584 0.629 . . . . 0.0 112.028 176.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.5 m -62.61 -44.04 97.3 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.436 0.694 . . . . 0.0 112.253 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.2 tp -67.79 -43.82 78.84 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.496 -0.752 . . . . 0.0 110.214 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.8 t -56.91 -44.51 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.862 0.865 . . . . 0.0 110.833 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -59.16 -54.29 48.64 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.592 0.757 . . . . 0.0 109.719 174.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.57 65.13 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -69.52 -12.45 61.66 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.496 1.118 . . . . 0.0 113.513 177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -115.19 -25.05 8.22 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.797 1.639 . . . . 0.0 112.432 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.8 t -64.35 162.69 14.46 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.059 1.744 . . . . 0.0 113.192 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -131.68 -15.29 3.11 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.297 1.839 . . . . 0.0 114.276 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.9 128.01 33.98 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.916 0.886 . . . . 0.0 110.683 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.64 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -143.82 71.02 1.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.599 1.959 . . . . 0.0 109.143 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -48.83 159.31 0.25 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.397 2.279 . . . . 0.0 114.403 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -64.55 -21.45 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.27 131.43 62.32 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 118.808 0.731 . . . . 0.0 110.245 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -64.65 -32.48 57.67 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.896 2.397 . . . . 0.0 112.629 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.5 p -75.56 -45.0 40.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.91 0.884 . . . . 0.0 112.455 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.33 -46.33 46.71 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.559 1.544 . . . . 0.0 112.138 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -54.27 -36.47 63.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.959 1.304 . . . . 0.0 113.053 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -86.68 -42.75 13.14 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.291 1.836 . . . . 0.0 111.827 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 mmt -57.18 -43.46 82.65 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.959 1.304 . . . . 0.0 111.643 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -59.7 -45.97 90.51 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.074 0.55 . . . . 0.0 110.907 175.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -63.29 -36.52 83.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.995 0.918 . . . . 0.0 112.326 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.58 -50.68 70.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.398 1.079 . . . . 0.0 110.456 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.19 -60.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.771 1.228 . . . . 0.0 109.172 176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -49.28 -44.98 44.46 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.059 1.743 . . . . 0.0 113.332 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 28.5 t60 -58.45 -57.77 11.47 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.862 0.756 . . . . 0.0 109.957 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.9 m -58.7 -38.69 78.82 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 123.749 0.82 . . . . 0.0 112.676 -176.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.5 -17.68 46.85 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.513 1.925 . . . . 0.0 114.115 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 -4.85 8.25 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.289 1.423 . . . . 0.0 114.431 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.8 t -73.42 155.26 39.49 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.681 1.24 . . . . 0.0 112.236 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.8 4.91 9.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.828 2.051 . . . . 0.0 112.181 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 21.5 mtm180 -96.16 -63.09 1.18 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.083 1.353 . . . . 0.0 110.533 179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.403 0.0 OUTLIER 45.31 -171.81 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.28 2.232 . . . . 0.0 115.811 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.8 p -57.83 -29.45 64.96 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.825 1.25 . . . . 0.0 113.9 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -73.9 -27.58 61.12 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.64 -23.96 7.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.854 1.216 . . . . 0.0 114.824 -178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.09 3.43 6.87 Favored Glycine 0 CA--C 1.533 1.177 0 N-CA-C 116.947 1.539 . . . . 0.0 116.947 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 10.2 t -54.45 121.45 32.45 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 119.608 1.704 . . . . 0.0 113.011 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.97 -27.0 8.88 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.687 1.591 . . . . 0.0 111.513 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.4 t -72.6 -54.35 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-N 119.53 1.059 . . . . 0.0 110.632 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.2 m -52.75 -54.09 38.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.386 0.675 . . . . 0.0 110.406 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -55.54 -27.12 47.03 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -70.87 -53.3 15.68 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.817 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.54 -32.63 74.09 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.994 1.27 . . . . 0.0 110.795 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' B' ' 743' ' ' PHE . 7.1 mm -61.88 -42.43 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-N 119.047 0.84 . . . . 0.0 111.908 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.98 -52.67 64.76 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.184 0.902 . . . . 0.0 109.958 172.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -44.25 75.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.664 1.586 . . . . 0.0 112.566 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 90.4 m -69.72 -44.35 70.5 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.239 1.416 . . . . 0.0 111.201 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 24.9 m -58.69 -41.53 86.45 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.37 1.441 . . . . 0.0 111.885 176.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -58.5 -34.58 71.1 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.832 1.253 . . . . 0.0 112.325 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -83.51 -58.99 2.59 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.183 1.393 . . . . 0.0 111.384 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.57 -36.13 22.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.646 2.379 . . . . 0.0 115.617 -175.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -60.2 -55.27 35.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.65 -23.9 58.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.13 1.772 . . . . 0.0 111.67 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 18.7 t -67.39 152.15 46.19 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.123 0.569 . . . . 0.0 110.182 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -135.28 -1.37 2.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.401 1.081 . . . . 0.0 113.696 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.01 153.52 38.46 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.224 -0.923 . . . . 0.0 111.251 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.51 -6.14 15.51 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.071 1.348 . . . . 0.0 113.2 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -124.16 18.71 9.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.345 2.658 . . . . 0.0 112.885 -178.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.57 136.63 52.95 Favored Pre-proline 0 CA--C 1.559 1.32 0 C-N-CA 126.313 1.845 . . . . 0.0 110.604 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -68.52 -25.82 34.72 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.816 2.344 . . . . 0.0 115.528 -174.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.29 127.96 93.36 Favored Pre-proline 0 N--CA 1.474 0.76 0 CA-C-N 119.063 0.847 . . . . 0.0 109.68 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -65.36 -28.88 54.6 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 121.903 1.735 . . . . 0.0 113.768 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -90.0 -24.24 21.29 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 43.7 t -49.94 -53.99 22.69 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 120.39 1.45 . . . . 0.0 112.011 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.4 -44.58 87.02 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.612 -0.68 . . . . 0.0 112.017 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -54.96 -43.27 73.32 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.802 1.241 . . . . 0.0 111.964 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.2 mt -71.71 -48.62 50.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.374 1.47 . . . . 0.0 110.281 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -50.14 -48.38 53.78 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.694 1.134 . . . . 0.0 112.095 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -54.06 -31.16 50.75 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -90.0 -40.98 11.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.463 1.105 . . . . 0.0 111.952 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.37 -43.23 77.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.0 mmt-85 -65.96 -28.96 69.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.901 1.28 . . . . 0.0 113.521 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -79.83 -4.55 52.66 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.66 1.356 . . . . 0.0 114.66 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -62.17 149.02 42.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 119.409 1.004 . . . . 0.0 112.371 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 . . . . . 0 CA--C 1.54 0.593 0 C-N-CA 125.266 1.426 . . . . 0.0 112.11 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.425 0 N-CA-C 114.721 0.648 . . . . 0.0 114.721 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 18.0 m -58.21 -13.25 4.64 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.33 1.852 . . . . 0.0 115.88 -178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -127.6 14.75 7.05 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.772 1.629 . . . . 0.0 112.564 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 15.3 tpt -63.37 145.33 55.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.694 1.198 . . . . 0.0 112.574 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.1 p -154.44 172.64 17.43 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.717 1.607 . . . . 0.0 111.719 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -63.91 163.67 11.61 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.93 0.872 . . . . 0.0 113.343 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.7 m -63.35 -17.56 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 68.9 m80 29.03 65.59 0.71 Allowed Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 127.606 2.362 . . . . 0.0 115.452 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -72.83 179.13 5.57 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.042 3.162 . . . . 0.0 114.366 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.6 m -70.8 55.65 0.18 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.004 2.522 . . . . 0.0 114.234 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -122.07 22.3 10.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 113.338 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 53.3 tp -139.4 113.32 8.66 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.931 1.692 . . . . 0.0 110.29 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -138.72 4.69 2.35 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.105 1.362 . . . . 0.0 114.58 -177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 19.5 p -66.92 -20.67 65.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.789 -1.194 . . . . 0.0 113.951 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 103.27 2.87 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.165 1.786 . . . . 0.0 107.679 175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -148.69 13.15 0.91 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.59 -11.41 7.3 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -19.47 64.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.671 0.788 . . . . 0.0 111.347 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.5 mt -36.67 101.63 0.22 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 128.588 2.755 . . . . 0.0 113.748 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.22 0.54 9.94 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.918 3.079 . . . . 0.0 115.088 -176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 41.6 ttp -141.32 145.47 35.5 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.483 1.513 . . . . 0.0 110.97 -177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 66.1 m -85.31 158.78 57.43 Favored Pre-proline 0 N--CA 1.476 0.839 0 C-N-CA 125.436 1.494 . . . . 0.0 113.643 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.01 -41.64 55.77 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 123.841 3.027 . . . . 0.0 115.538 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -71.36 -32.51 68.6 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.26 -0.9 . . . . 0.0 113.015 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -71.22 -48.52 50.85 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -56.41 -39.36 72.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.297 1.039 . . . . 0.0 111.734 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.28 -45.71 93.35 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.989 0.916 . . . . 0.0 110.961 175.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -62.79 -36.5 83.33 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.403 -0.81 . . . . 0.0 112.184 175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.75 -47.7 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.189 0.596 . . . . 0.0 109.567 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 22.9 t -56.13 -40.58 74.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.5 1.12 . . . . 0.0 112.143 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.88 -40.44 84.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.697 0.799 . . . . 0.0 112.843 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 16.1 mt -84.79 -46.46 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.865 0.866 . . . . 0.0 112.852 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 92.2 t -68.37 -32.31 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 124.05 0.94 . . . . 0.0 112.062 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.21 28.98 35.82 Favored Glycine 0 CA--C 1.541 1.678 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 28.3 m 51.27 32.17 7.9 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 116.334 1.975 . . . . 0.0 116.334 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -29.11 -62.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 128.251 2.62 . . . . 0.0 116.791 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -142.53 15.81 2.0 Allowed 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.472 1.909 . . . . 0.0 110.341 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -37.64 -49.62 1.12 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 130.852 3.661 . . . . 0.0 118.932 -169.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -66.77 -2.77 5.44 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.214 1.191 . . . . 0.0 114.214 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 5.1 m -126.2 18.09 7.72 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.046 1.738 . . . . 0.0 113.997 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -21.05 50.52 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.459 -1.401 . . . . 0.0 113.511 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.64 5.07 41.38 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 126.031 1.732 . . . . 0.0 113.101 177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -113.16 167.6 10.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.398 1.479 . . . . 0.0 112.663 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 35.2 p -75.42 -37.33 60.49 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.637 1.175 . . . . 0.0 112.194 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 126.318 1.847 . . . . 0.0 111.581 -179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -59.33 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.624 2.883 . . . . 0.0 112.385 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -90.13 -27.5 19.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.593 1.157 . . . . 0.0 110.616 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.43 -23.96 66.37 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.7 t -50.63 -43.17 56.97 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.303 1.41 . . . . 0.0 111.696 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -66.36 -48.57 69.78 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.144 0.978 . . . . 0.0 111.818 175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -61.19 -47.11 87.66 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.058 1.343 . . . . 0.0 112.926 -177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.24 -36.05 82.01 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.218 1.407 . . . . 0.0 111.221 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -66.61 -40.06 88.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.628 0.649 . . . . 0.0 111.404 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.9 mt -60.66 -40.74 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.802 0.841 . . . . 0.0 110.318 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -58.96 -37.84 77.69 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.118 -0.989 . . . . 0.0 112.54 175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.16 -38.18 89.73 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.068 -1.02 . . . . 0.0 111.018 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 67.4 m -66.45 -40.52 89.46 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.299 0.64 . . . . 0.0 110.991 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.83 -49.64 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.182 0.993 . . . . 0.0 109.695 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -59.31 -40.13 85.25 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.445 0.566 . . . . 0.0 111.802 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.2 m -63.63 -44.36 94.14 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.459 0.703 . . . . 0.0 112.29 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.25 -42.48 79.61 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.613 -0.679 . . . . 0.0 110.812 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 t -58.32 -44.43 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.188 0.995 . . . . 0.0 110.478 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -59.97 -53.44 57.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.538 0.735 . . . . 0.0 109.774 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.91 -33.55 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 96.8 m -68.12 -13.24 62.07 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.147 0.979 . . . . 0.0 113.259 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.68 -21.97 8.84 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.858 1.663 . . . . 0.0 112.986 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.45 169.82 11.72 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.816 1.646 . . . . 0.0 113.343 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -142.06 -16.34 0.77 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.123 2.169 . . . . 0.0 113.97 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -61.89 123.34 17.76 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.215 1.006 . . . . 0.0 111.763 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -25.64 68.1 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -141.17 55.4 1.55 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.755 2.022 . . . . 0.0 110.305 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -50.58 151.0 2.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.496 1.518 . . . . 0.0 112.829 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -64.93 -17.55 64.46 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.2 mt -82.03 127.8 70.57 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 118.813 0.733 . . . . 0.0 109.947 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.21 -31.82 53.06 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 122.628 2.219 . . . . 0.0 112.22 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -73.41 -45.47 54.47 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.228 1.011 . . . . 0.0 112.114 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.1 t -49.86 -47.29 51.91 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.643 1.577 . . . . 0.0 112.245 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -55.24 -32.19 62.11 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.722 1.209 . . . . 0.0 113.268 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -89.89 -44.09 10.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.302 1.841 . . . . 0.0 111.617 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mmt -55.57 -38.49 69.43 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.44 1.496 . . . . 0.0 112.021 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -63.17 -45.1 93.37 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.393 0.677 . . . . 0.0 111.595 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -66.02 -37.74 86.67 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.867 0.867 . . . . 0.0 111.29 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 HD11 ' A' ' 60' ' ' LEU . 49.0 t -62.71 -55.75 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 125.166 1.386 . . . . 0.0 111.379 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.66 -41.06 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 119.104 0.865 . . . . 0.0 110.865 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -54.39 -43.13 71.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.646 1.178 . . . . 0.0 112.52 175.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -62.95 -55.27 27.3 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 118.318 0.508 . . . . 0.0 110.416 177.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -35.7 73.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.133 1.373 . . . . 0.0 113.115 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -59.45 -6.65 1.11 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 175.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.88 19.31 0.66 Allowed Glycine 0 CA--C 1.535 1.314 0 CA-C-O 117.497 -1.724 . . . . 0.0 115.634 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.73 149.3 49.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 120.198 1.999 . . . . 0.0 112.771 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -98.18 -4.46 35.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.646 1.978 . . . . 0.0 112.153 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -128.9 -52.68 1.22 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.343 8.6 ptpp? 43.71 -158.16 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.724 1.61 . . . . 0.0 115.063 -176.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 45.3 p -56.2 -35.06 66.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.513 -1.367 . . . . 0.0 114.358 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.59 -28.5 58.94 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.455 1.102 . . . . 0.0 113.278 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.99 -34.15 6.05 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.927 1.251 . . . . 0.0 112.611 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.08 10.59 3.76 Favored Glycine 0 CA--C 1.536 1.354 0 N-CA-C 116.17 1.228 . . . . 0.0 116.17 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 18.2 t -64.09 125.25 87.67 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.061 1.43 . . . . 0.0 111.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.59 -25.9 10.53 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 122.27 1.98 . . . . 0.0 113.789 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.2 t -68.1 -60.31 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.204 1.365 . . . . 0.0 110.978 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.0 m -46.42 -54.31 9.4 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.983 1.713 . . . . 0.0 112.969 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -55.85 -33.54 64.62 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.919 1.688 . . . . 0.0 112.544 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -66.77 -44.35 81.62 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.601 1.16 . . . . 0.0 112.39 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 HD11 HG13 ' A' ' 39' ' ' VAL . 6.6 mp -62.37 -47.42 84.28 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 119.109 0.868 . . . . 0.0 110.178 177.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 67.7 mt -61.43 -37.4 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 117.668 -1.158 . . . . 0.0 111.81 -174.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.76 -50.03 75.41 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.572 1.533 . . . . 0.0 109.345 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.39 -43.17 79.0 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.815 1.646 . . . . 0.0 111.418 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 72.1 m -71.34 -37.53 71.71 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.933 1.293 . . . . 0.0 112.386 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' HA ' HG21 ' A' ' 84' ' ' ILE . 67.6 m -60.6 -45.21 94.85 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.215 1.37 . . . . 0.0 110.126 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' B' ' 737' ' ' ILE . 12.7 t80 -57.56 -43.38 84.43 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.985 1.314 . . . . 0.0 111.665 178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -70.42 -55.7 8.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.859 0.863 . . . . 0.0 111.153 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.51 -34.06 61.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.983 1.713 . . . . 0.0 114.082 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -57.17 -40.22 76.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.298 1.039 . . . . 0.0 111.853 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.07 -32.71 16.59 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.957 1.303 . . . . 0.0 113.412 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.06 155.9 22.83 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.321 1.448 . . . . 0.0 113.318 -178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -134.79 -5.99 2.46 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.529 1.132 . . . . 0.0 113.757 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.6 tp10 -77.28 155.35 32.15 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.122 0.969 . . . . 0.0 112.033 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -109.93 -6.31 15.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.824 1.65 . . . . 0.0 113.233 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 43.7 mttm -120.62 16.49 12.0 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.9 2.48 . . . . 0.0 113.056 -178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.87 138.46 33.69 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.604 1.961 . . . . 0.0 111.468 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.81 -25.26 33.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.821 2.347 . . . . 0.0 115.158 -175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.19 127.38 92.99 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 123.957 0.903 . . . . 0.0 109.553 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.1 -32.51 43.28 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.245 1.963 . . . . 0.0 113.981 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -85.02 -26.82 26.81 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.1 t -49.23 -55.68 11.76 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.791 1.178 . . . . 0.0 111.828 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -62.22 -48.54 79.52 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -57.74 -42.51 84.06 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.338 0.655 . . . . 0.0 112.198 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.802 HG23 ' HE2' ' B' ' 746' ' ' MET . 62.9 mt -70.64 -53.03 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 123.346 0.659 . . . . 0.0 110.108 176.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -48.86 -48.23 42.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.031 1.732 . . . . 0.0 111.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -55.09 -49.71 71.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.453 0.57 . . . . 0.0 111.422 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -61.57 -45.72 92.93 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 118.787 -0.625 . . . . 0.0 112.368 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.41 -44.27 79.2 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -69.07 -36.13 77.28 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.302 1.041 . . . . 0.0 112.727 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -71.11 -8.37 52.95 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -66.56 -14.02 61.79 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.923 1.238 . . . . 0.0 114.243 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 N--CA 1.471 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 111.694 -179.656 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.47 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.7 p -69.14 -17.33 63.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.473 1.509 . . . . 0.0 114.505 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -154.13 173.71 15.71 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.301 1.84 . . . . 0.0 111.803 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -148.37 168.63 22.12 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.75 1.62 . . . . 0.0 111.421 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -134.9 1.42 3.02 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -80.75 20.56 0.74 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.159 1.383 . . . . 0.0 113.909 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.8 130.39 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.069 1.748 . . . . 0.0 111.618 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -152.26 134.7 8.83 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.335 1.454 . . . . 0.0 110.331 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -58.9 177.43 0.34 Allowed 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 123.587 2.858 . . . . 0.0 116.081 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 11.6 t -159.74 159.15 32.49 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.188 1.795 . . . . 0.0 110.801 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -76.1 124.72 27.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.264 1.026 . . . . 0.0 110.727 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 16.1 tp -146.14 40.01 1.13 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.039 1.336 . . . . 0.0 111.033 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -126.94 18.08 7.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.776 1.63 . . . . 0.0 112.37 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 45.7 p -138.93 147.49 42.35 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.398 1.879 . . . . 0.0 110.114 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 15.5 p -54.43 -47.8 72.42 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.306 1.042 . . . . 0.0 113.707 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -56.97 -8.63 0.66 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.3 2.24 . . . . 0.0 115.695 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.17 -2.51 9.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.926 1.29 . . . . 0.0 113.455 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.24 -19.57 63.33 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.143 0.883 . . . . 0.0 111.864 171.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 26.9 mt -33.44 108.69 0.31 Allowed Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.55 2.34 . . . . 0.0 114.192 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -76.64 -7.03 17.45 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.903 3.069 . . . . 0.0 115.054 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.7 ttp -142.16 145.37 34.11 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.532 1.533 . . . . 0.0 110.244 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 5.0 m -80.17 157.94 72.71 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 112.177 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -61.45 -33.64 87.78 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 121.94 1.76 . . . . 0.0 112.103 176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.62 -25.23 64.75 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.127 0.971 . . . . 0.0 112.772 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -86.1 -46.29 10.59 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.571 1.148 . . . . 0.0 109.058 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -53.55 -35.3 60.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.412 1.085 . . . . 0.0 111.437 174.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.49 -39.51 87.95 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.348 1.459 . . . . 0.0 112.24 175.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -75.14 -33.23 61.52 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.843 -1.16 . . . . 0.0 111.596 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.48 -42.11 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 53.1 m -60.17 -33.84 72.76 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.558 1.143 . . . . 0.0 113.018 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -63.06 -39.94 96.2 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.532 1.06 . . . . 0.0 112.385 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 66' ' ' TYR . 26.5 mt -88.21 -46.79 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.561 0.744 . . . . 0.0 112.23 -177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.41 -32.64 53.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.232 1.013 . . . . 0.0 111.835 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 51.09 27.85 16.05 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.459 1.504 . . . . 0.0 115.364 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 23.0 m 53.13 24.34 3.54 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.326 1.85 . . . . 0.0 114.794 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . 0.419 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.7 p -15.49 -67.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 129.815 3.246 . . . . 0.0 116.524 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . 0.419 ' H ' HG13 ' B' ' 741' ' ' VAL . 55.1 mt-10 -146.26 25.98 1.21 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 127.606 2.362 . . . . 0.0 108.965 174.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 5.8 t80 -41.65 -38.48 1.4 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 129.137 2.975 . . . . 0.0 118.802 -169.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.31 4.65 12.29 Favored 'General case' 0 CA--C 1.553 1.085 0 O-C-N 120.559 -1.338 . . . . 0.0 113.776 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.9 t -125.71 5.11 7.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.343 2.257 . . . . 0.0 112.9 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.802 ' HE2' HG23 ' A' ' 84' ' ' ILE . 3.0 mmm -56.26 -23.36 35.8 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 120.023 -1.673 . . . . 0.0 114.52 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -72.02 -17.55 62.02 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.117 1.767 . . . . 0.0 113.386 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.74 140.88 58.92 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.972 0.909 . . . . 0.0 112.498 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 76.8 p -111.24 -32.89 6.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.032 1.333 . . . . 0.0 113.518 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.027 0 C-N-CA 126.118 1.767 . . . . 0.0 112.482 -179.328 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -67.48 -70.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.884 3.056 . . . . 0.0 112.268 -177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -72.94 -29.27 62.97 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.926 0.89 . . . . 0.0 110.066 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -60.05 -37.6 80.32 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.902 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -56.18 -33.55 65.37 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.691 1.132 . . . . 0.0 111.418 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -78.14 -49.83 13.13 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.57 0.748 . . . . 0.0 110.903 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -55.71 -47.02 77.55 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.405 1.082 . . . . 0.0 112.953 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 mt -66.53 -34.93 79.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.266 1.426 . . . . 0.0 111.165 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -70.7 -40.93 72.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.351 0.66 . . . . 0.0 111.432 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.5 mt -57.51 -41.79 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.082 0.953 . . . . 0.0 109.747 176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -59.56 -37.19 77.78 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.435 -0.791 . . . . 0.0 112.38 174.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.6 mmt-85 -65.89 -41.3 91.7 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.305 0.957 . . . . 0.0 110.859 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 82.1 m -63.4 -42.76 98.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.106 0.562 . . . . 0.0 110.754 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.24 -49.77 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.989 0.916 . . . . 0.0 110.19 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -60.17 -38.99 84.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.512 0.596 . . . . 0.0 111.831 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.4 m -66.4 -40.62 89.73 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.419 0.688 . . . . 0.0 112.202 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.3 tp -68.23 -42.19 80.12 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.035 0.834 . . . . 0.0 110.156 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -58.6 -44.77 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.069 0.948 . . . . 0.0 110.519 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -59.34 -54.15 50.09 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.747 0.819 . . . . 0.0 109.365 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.42 -34.24 66.58 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -67.99 -12.67 61.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.126 0.97 . . . . 0.0 113.279 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -118.04 -24.85 6.89 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.817 1.647 . . . . 0.0 112.842 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 t -66.25 163.92 16.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.076 1.75 . . . . 0.0 112.95 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -133.61 -15.09 2.45 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.183 1.793 . . . . 0.0 114.387 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -63.94 119.63 10.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.036 0.934 . . . . 0.0 111.036 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.19 -28.62 68.1 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -141.06 58.86 1.53 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.501 1.92 . . . . 0.0 110.146 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.1 t -49.53 149.4 2.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.889 1.676 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -65.58 -16.3 63.57 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -82.1 128.95 66.05 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 118.879 0.763 . . . . 0.0 109.843 175.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -63.8 -38.76 37.47 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.686 2.257 . . . . 0.0 112.647 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.9 t -72.61 -43.15 63.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 111.902 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.6 t -48.48 -48.69 37.72 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 120.97 1.713 . . . . 0.0 112.581 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -58.26 -39.79 80.12 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.411 -0.806 . . . . 0.0 112.61 175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.4 -45.43 62.78 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.064 1.345 . . . . 0.0 110.586 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -58.64 -39.98 82.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 125.83 1.652 . . . . 0.0 111.986 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -63.21 -46.59 86.32 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.052 0.541 . . . . 0.0 110.677 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -63.83 -37.93 89.22 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.113 0.869 . . . . 0.0 111.236 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 60' ' ' LEU . 54.9 t -64.29 -55.9 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 125.974 1.71 . . . . 0.0 111.798 176.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -62.55 -41.07 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 119.263 0.938 . . . . 0.0 110.438 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -57.86 -42.82 85.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.72 1.208 . . . . 0.0 112.208 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -58.86 -55.58 33.3 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -59.06 -39.3 81.66 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -59.93 -17.75 39.98 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.999 2.119 . . . . 0.0 113.868 177.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.8 -11.12 5.03 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.069 1.318 . . . . 0.0 114.941 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.02 151.71 44.31 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.256 1.528 . . . . 0.0 111.451 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.31 6.7 11.18 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.414 1.885 . . . . 0.0 112.504 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.0 mtm-85 -99.19 -64.24 1.05 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.995 1.318 . . . . 0.0 110.893 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.372 0.0 OUTLIER 45.77 -163.76 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.553 1.941 . . . . 0.0 114.373 -175.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.9 p -53.29 -32.74 50.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.007 1.723 . . . . 0.0 114.264 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.83 -26.22 44.19 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.708 1.203 . . . . 0.0 113.45 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -99.79 -24.46 9.91 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.202 1.382 . . . . 0.0 113.06 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.68 12.88 10.94 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 125.105 1.336 . . . . 0.0 115.649 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 2.3 t -62.09 125.24 84.89 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-N 119.299 1.549 . . . . 0.0 111.532 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.83 -28.54 7.77 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.25 1.967 . . . . 0.0 113.094 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.3 t -68.43 -59.74 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 119.308 0.958 . . . . 0.0 110.423 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.4 m -46.72 -55.38 7.89 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.762 1.625 . . . . 0.0 113.089 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -55.64 -30.59 61.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.132 1.773 . . . . 0.0 113.204 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -66.36 -41.48 89.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.236 1.015 . . . . 0.0 111.743 176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -63.08 -47.23 83.79 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 118.422 0.556 . . . . 0.0 109.808 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' CE1' ' B' ' 743' ' ' PHE . 8.8 mm -53.36 -45.39 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-O 118.449 -0.786 . . . . 0.0 111.568 -177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.39 -52.66 64.65 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.648 1.113 . . . . 0.0 110.48 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -39.59 74.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.562 1.545 . . . . 0.0 111.846 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.2 m -74.18 -38.09 63.76 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.971 1.309 . . . . 0.0 112.252 176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -61.08 -47.14 87.72 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.572 1.533 . . . . 0.0 110.354 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -58.29 -32.96 68.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.722 1.609 . . . . 0.0 112.276 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -81.78 -57.95 3.21 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.462 1.105 . . . . 0.0 111.32 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -49.46 -37.93 27.9 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.179 2.191 . . . . 0.0 115.137 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -59.94 -52.21 66.4 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -79.39 -13.71 59.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.946 1.698 . . . . 0.0 113.637 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.73 160.66 8.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.134 0.974 . . . . 0.0 112.352 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -134.27 7.51 3.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -126.86 160.95 29.43 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -109.89 7.98 24.17 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.66 1.584 . . . . 0.0 112.608 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -126.15 11.09 7.56 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 128.191 2.596 . . . . 0.0 112.911 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -48.18 138.51 10.64 Favored Pre-proline 0 CA--C 1.56 1.357 0 C-N-CA 127.269 2.228 . . . . 0.0 112.485 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -69.89 -23.63 29.98 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 122.841 2.361 . . . . 0.0 115.198 -177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.68 130.76 91.66 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.219 1.007 . . . . 0.0 109.995 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -66.59 -38.4 19.0 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.053 1.835 . . . . 0.0 114.207 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -83.72 -24.51 31.18 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 33.3 t -48.0 -56.12 8.42 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.49 1.041 . . . . 0.0 111.736 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.15 -46.6 86.46 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -56.94 -38.72 73.31 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.541 0.736 . . . . 0.0 112.588 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.67 HG23 ' HE2' ' B' ' 746' ' ' MET . 63.1 mt -77.99 -49.2 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.505 1.122 . . . . 0.0 110.63 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -49.75 -48.12 50.41 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.913 1.685 . . . . 0.0 112.018 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -55.69 -41.51 73.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -71.7 -39.98 69.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.567 1.147 . . . . 0.0 112.514 178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.3 mp -78.73 -39.7 35.64 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -60.9 -31.79 71.28 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.768 1.167 . . . . 0.0 113.472 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -80.42 4.78 17.0 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -138.73 174.98 9.96 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.29 1.036 . . . . 0.0 113.676 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 124.691 1.196 . . . . 0.0 112.346 179.677 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.569 0 N-CA-C 114.88 0.712 . . . . 0.0 114.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 23.1 t -153.49 167.06 30.74 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.842 1.657 . . . . 0.0 111.841 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -136.11 8.59 3.21 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.77 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.7 mtp -66.14 156.78 32.99 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.553 1.141 . . . . 0.0 112.62 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 48.0 p -71.49 -12.82 61.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . 0.272 15.1 pt-20 43.06 -148.74 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 127.702 2.401 . . . . 0.0 115.286 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 29.0 m -136.36 168.07 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.043 1.737 . . . . 0.0 111.929 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . 0.401 ' CD2' HH12 ' B' ' 716' ' ' ARG . 0.1 OUTLIER -154.27 150.91 23.14 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.706 1.602 . . . . 0.0 110.519 178.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -62.21 178.38 0.86 Allowed 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 123.517 2.811 . . . . 0.0 116.144 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 31.8 m -63.89 153.08 37.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.9 1.68 . . . . 0.0 114.312 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . 0.401 HH12 ' CD2' ' B' ' 713' ' ' HIS . 96.5 mtm-85 -142.61 177.6 8.19 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.593 2.357 . . . . 0.0 110.17 176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 87.4 mt -119.37 177.07 5.05 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.047 1.339 . . . . 0.0 112.942 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -51.68 139.19 21.57 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.04 1.736 . . . . 0.0 111.965 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 44.7 p 52.04 -0.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 128.825 2.85 . . . . 0.0 117.593 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 54.0 m -54.22 -46.81 72.61 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.789 1.236 . . . . 0.0 112.064 178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -3.95 1.41 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.272 2.229 . . . . 0.0 114.725 178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -124.54 1.22 8.27 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.627 1.171 . . . . 0.0 114.135 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 68.9 mt -57.86 -22.06 46.05 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.355 -0.84 . . . . 0.0 110.912 170.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 15.0 mt -31.61 106.67 0.25 Allowed Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 128.11 2.564 . . . . 0.0 113.439 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -73.58 -11.36 24.27 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.382 2.721 . . . . 0.0 114.648 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.3 ttp -140.75 148.27 40.42 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.729 2.012 . . . . 0.0 110.047 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 94.9 p -88.42 161.92 41.21 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.821 1.248 . . . . 0.0 113.656 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.68 -36.03 88.79 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.398 2.732 . . . . 0.0 114.48 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -69.34 -38.92 78.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.352 -0.842 . . . . 0.0 111.659 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.7 -45.09 65.6 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.024 -1.047 . . . . 0.0 109.43 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -55.75 -39.77 71.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.134 0.974 . . . . 0.0 111.514 175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.555 1.142 . . . . 0.0 111.355 175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -71.69 -33.61 68.95 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.332 -0.855 . . . . 0.0 111.885 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.89 -48.11 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.329 0.968 . . . . 0.0 109.223 173.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 34.0 t -56.55 -39.99 74.38 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.859 1.263 . . . . 0.0 111.768 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.5 ttm105 -58.78 -36.76 74.95 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.743 1.217 . . . . 0.0 113.745 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.86 -47.52 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.124 0.97 . . . . 0.0 111.901 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.5 t -68.87 -32.04 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.379 1.072 . . . . 0.0 112.348 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 63.45 20.27 63.27 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.009 1.29 . . . . 0.0 114.562 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.4 m 51.84 25.91 3.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.571 1.949 . . . . 0.0 114.968 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . 0.251 5.0 p -9.49 -68.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 130.246 3.419 . . . . 0.0 115.948 -178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 37.47 0.4 Allowed 'General case' 0 N--CA 1.483 1.208 0 CA-C-O 124.452 2.072 . . . . 0.0 111.282 172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.1 t80 -39.91 -34.36 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 131.362 3.865 . . . . 0.0 118.204 -174.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.31 3.11 19.09 Favored 'General case' 0 CA--C 1.553 1.072 0 O-C-N 120.611 -1.305 . . . . 0.0 113.697 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 16.4 t -125.05 8.18 7.99 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.411 1.885 . . . . 0.0 113.569 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.67 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm -58.28 -23.26 55.67 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.143 -1.598 . . . . 0.0 114.1 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -81.72 -17.42 47.88 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.127 1.771 . . . . 0.0 113.647 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -63.31 -24.71 67.98 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 36.2 m -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.31 -57.03 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.789 2.993 . . . . 0.0 113.474 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -90.14 -35.85 15.16 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.54 1.136 . . . . 0.0 109.96 174.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -54.81 -33.27 61.36 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 128.19 2.596 . . . . 0.0 115.252 -176.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -53.25 -44.68 68.34 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.297 1.408 . . . . 0.0 112.584 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.5 mtm-85 -71.1 -47.8 56.03 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.713 1.205 . . . . 0.0 111.148 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -53.96 -48.68 70.05 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.663 1.585 . . . . 0.0 112.363 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.07 -30.87 68.22 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.485 1.514 . . . . 0.0 111.964 178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.4 m -73.88 -35.92 64.76 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.554 -0.716 . . . . 0.0 112.141 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.5 mt -58.43 -38.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.937 0.895 . . . . 0.0 110.225 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -59.29 -34.12 71.9 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.335 -0.853 . . . . 0.0 113.067 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -61.05 -43.44 98.88 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.352 0.978 . . . . 0.0 110.505 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.03 -39.47 83.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.599 0.76 . . . . 0.0 111.225 177.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.19 -48.6 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 119.189 0.904 . . . . 0.0 109.952 175.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -59.72 -40.43 87.98 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.759 0.709 . . . . 0.0 111.968 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -63.45 -43.94 95.93 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.486 0.714 . . . . 0.0 112.284 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.0 -40.73 78.55 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.527 -0.733 . . . . 0.0 110.678 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.25 -44.39 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 124.11 0.964 . . . . 0.0 110.442 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -59.56 -53.62 55.92 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.532 0.733 . . . . 0.0 109.546 174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.08 -33.7 65.29 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.7 m -69.98 -13.01 62.03 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.374 1.07 . . . . 0.0 113.538 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -111.67 -30.64 7.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.895 1.678 . . . . 0.0 111.723 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.54 166.16 10.98 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.675 1.99 . . . . 0.0 112.737 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -135.3 -14.21 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.424 1.89 . . . . 0.0 114.237 -177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -66.78 117.8 9.41 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 111.287 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -25.69 66.76 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.39 -0.819 . . . . 0.0 112.801 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -141.22 56.99 1.54 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.282 1.833 . . . . 0.0 110.433 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -50.21 158.92 0.5 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.762 2.025 . . . . 0.0 114.091 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.0 p -65.71 -21.51 66.54 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.4 mt -81.63 129.77 64.17 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 123.524 0.73 . . . . 0.0 109.912 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -63.76 -31.35 68.8 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.833 2.355 . . . . 0.0 112.932 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.5 p -76.84 -45.72 27.41 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.966 0.906 . . . . 0.0 112.536 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.0 t -49.02 -46.0 43.39 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.547 1.539 . . . . 0.0 112.386 178.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -51.62 -41.32 61.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.097 1.359 . . . . 0.0 112.53 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -83.44 -42.36 17.04 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 126.426 1.89 . . . . 0.0 111.67 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.0 mmt -56.17 -44.85 79.75 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.631 1.173 . . . . 0.0 112.503 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -60.97 -45.95 92.7 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.726 0.693 . . . . 0.0 111.05 174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -59.62 -40.42 87.5 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.51 0.595 . . . . 0.0 111.525 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.04 -53.5 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.513 1.125 . . . . 0.0 111.825 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.55 -42.65 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 119.492 1.042 . . . . 0.0 111.014 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -58.56 -41.06 84.77 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.362 1.065 . . . . 0.0 112.416 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -59.79 -57.37 13.18 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 118.303 0.501 . . . . 0.0 110.27 174.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -59.65 -34.9 73.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.498 1.119 . . . . 0.0 113.444 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -56.43 -12.95 1.92 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.043 1.737 . . . . 0.0 113.708 174.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.74 18.47 1.63 Allowed Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.323 1.44 . . . . 0.0 115.233 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 45.0 t -62.42 156.83 21.57 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.034 1.417 . . . . 0.0 113.324 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -118.03 4.69 12.06 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.57 2.348 . . . . 0.0 112.041 178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.483 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 24.4 mtm180 -118.06 -54.91 2.29 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.443 1.897 . . . . 0.0 110.61 -179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 39.55 -174.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 130.682 3.593 . . . . 0.0 118.087 -178.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.518 HG23 ' HE2' ' B' ' 747' ' ' MET . 41.2 p -61.17 -32.11 71.84 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.28 -1.512 . . . . 0.0 112.52 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -67.5 -23.51 65.48 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.887 1.275 . . . . 0.0 113.873 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.51 -37.64 1.29 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.624 1.106 . . . . 0.0 114.557 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.31 15.69 0.58 Allowed Glycine 0 CA--C 1.538 1.486 0 N-CA-C 117.438 1.735 . . . . 0.0 117.438 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.483 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 40.9 t -56.37 129.2 74.73 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 119.852 1.826 . . . . 0.0 112.82 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -73.0 -31.07 10.23 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 121.42 1.413 . . . . 0.0 111.744 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -73.44 -54.12 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 119.553 1.07 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.4 m -55.57 -51.32 67.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.385 0.539 . . . . 0.0 112.048 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -57.71 -28.77 64.14 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.273 -0.892 . . . . 0.0 112.188 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -67.04 -57.1 7.49 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.795 0.838 . . . . 0.0 112.52 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.57 -33.16 75.05 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.779 1.172 . . . . 0.0 111.245 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.902 HG22 ' CE1' ' B' ' 743' ' ' PHE . 28.6 mm -63.12 -39.29 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.36 0.982 . . . . 0.0 110.878 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.8 -50.26 74.15 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 119.707 1.139 . . . . 0.0 109.283 173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -46.56 74.31 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.171 1.788 . . . . 0.0 112.157 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.49 -37.84 77.4 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.267 1.427 . . . . 0.0 111.515 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.4 m -62.52 -41.62 98.97 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 120.486 1.493 . . . . 0.0 111.129 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -58.24 -44.3 88.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.764 0.826 . . . . 0.0 111.252 176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -69.97 -55.39 9.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.618 0.767 . . . . 0.0 111.388 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.61 -27.42 58.14 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.298 1.439 . . . . 0.0 114.593 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -61.26 -39.53 90.69 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.985 0.811 . . . . 0.0 111.927 175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -90.04 -33.63 16.25 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.21 1.004 . . . . 0.0 112.781 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 6.9 t -63.04 142.64 58.3 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.929 0.892 . . . . 0.0 112.512 -179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -134.15 0.9 3.18 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.562 1.545 . . . . 0.0 112.67 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -81.21 155.25 26.23 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.9 1.28 . . . . 0.0 111.724 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.63 2.06 14.41 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.491 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.2 mppt? -121.41 13.33 11.01 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.574 2.749 . . . . 0.0 112.543 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.35 137.35 68.65 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 127.025 2.13 . . . . 0.0 110.668 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.22 -28.64 27.59 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.739 2.292 . . . . 0.0 115.664 -175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -68.94 122.92 86.85 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 119.432 1.015 . . . . 0.0 109.177 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -64.95 -36.5 38.35 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 121.953 1.769 . . . . 0.0 113.752 -176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -77.29 -25.15 51.05 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.41 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 14.1 t -57.5 -51.33 69.91 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.647 1.112 . . . . 0.0 111.522 -178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -55.06 -49.8 70.71 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.462 2.305 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -65.17 -45.02 86.6 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.444 1.497 . . . . 0.0 112.539 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.4 mt -67.97 -51.53 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 123.893 0.877 . . . . 0.0 111.134 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.434 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 13.3 ptpt -56.45 -35.56 68.03 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 120.702 1.592 . . . . 0.0 113.605 -178.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -65.77 -23.14 66.65 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -90.12 -42.85 10.84 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.39 1.076 . . . . 0.0 110.623 172.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.65 -27.31 67.57 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -52.31 -23.43 5.81 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.925 1.69 . . . . 0.0 114.205 175.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -67.96 -21.92 65.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.859 1.663 . . . . 0.0 113.26 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -69.27 133.95 48.55 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.672 0.789 . . . . 0.0 111.093 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.473 1.509 . . . . 0.0 111.371 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 114.864 0.705 . . . . 0.0 114.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 45.0 m 47.01 42.43 12.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.88 1.672 . . . . 0.0 113.416 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -59.02 -29.28 67.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.935 1.294 . . . . 0.0 113.845 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.88 -26.02 65.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.328 1.051 . . . . 0.0 112.428 177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 34.1 m -78.44 52.96 1.21 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.807 1.643 . . . . 0.0 112.521 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.98 -10.12 26.87 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 25.1 m -75.07 -5.63 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 127.683 2.393 . . . . 0.0 112.316 174.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -126.67 76.55 74.47 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 126.679 1.992 . . . . 0.0 109.313 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.21 -169.64 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.173 0 C-N-CA 124.531 3.487 . . . . 0.0 112.836 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 49.1 m 60.91 49.81 5.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.69 1.596 . . . . 0.0 113.809 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -71.86 53.95 0.25 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.474 2.31 . . . . 0.0 112.175 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 84.2 mt -81.25 164.16 22.46 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.552 1.941 . . . . 0.0 114.28 -175.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -157.85 -179.89 8.57 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.559 2.343 . . . . 0.0 111.206 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 34.0 p -66.36 -23.63 66.37 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 8.2 m 44.35 67.07 0.73 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.78 2.032 . . . . 0.0 113.21 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -138.33 13.66 2.8 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.829 1.652 . . . . 0.0 114.274 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -124.84 2.13 8.11 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 51.3 mt -65.48 -9.82 29.09 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 123.993 0.917 . . . . 0.0 111.874 172.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 16.3 mt -37.29 102.72 0.24 Allowed Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 128.43 2.692 . . . . 0.0 113.949 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -80.83 0.0 10.31 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.224 3.283 . . . . 0.0 115.614 -175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.7 ttp -141.82 146.52 35.97 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.602 1.161 . . . . 0.0 111.612 -177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 3.8 m -80.7 156.73 72.74 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 125.332 1.453 . . . . 0.0 113.033 -176.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.63 -41.21 70.28 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.41 2.74 . . . . 0.0 114.501 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.66 -39.41 84.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.202 1.001 . . . . 0.0 111.918 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.41 -47.89 66.11 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.993 0.917 . . . . 0.0 109.314 176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -55.97 -37.18 68.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.704 1.202 . . . . 0.0 111.829 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.62 -44.74 81.21 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.442 -0.786 . . . . 0.0 111.566 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -65.43 -31.66 72.87 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.302 -0.874 . . . . 0.0 111.507 175.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.75 -51.39 51.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.506 -0.746 . . . . 0.0 109.1 172.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.8 m -56.78 -37.03 70.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.683 1.193 . . . . 0.0 112.789 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -54.4 -39.57 67.4 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.184 1.794 . . . . 0.0 112.118 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 26.7 mt -90.01 -47.25 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.401 1.081 . . . . 0.0 112.209 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.6 -33.01 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.124 0.97 . . . . 0.0 112.512 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.69 27.34 34.99 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.736 1.636 . . . . 0.0 115.893 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.6 m 53.28 25.04 4.13 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.242 1.817 . . . . 0.0 115.168 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 3.0 p -21.62 -63.65 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 129.429 3.091 . . . . 0.0 117.019 -178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -143.94 15.71 1.74 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.587 2.355 . . . . 0.0 109.583 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.902 ' CE1' HG22 ' A' ' 61' ' ' ILE . 2.6 t80 -41.76 -47.71 4.12 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.839 2.856 . . . . 0.0 118.186 -169.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -71.09 0.61 7.25 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.413 1.085 . . . . 0.0 113.833 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.6 t -125.96 6.63 7.29 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.112 2.565 . . . . 0.0 112.136 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -32.37 69.74 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.004 -1.685 . . . . 0.0 111.595 175.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . 0.518 ' HE2' HG23 ' A' ' 50' ' ' THR . 13.3 mmt -80.03 -7.5 58.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.72 1.208 . . . . 0.0 114.046 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.43 161.84 29.78 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.176 1.39 . . . . 0.0 112.95 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 13.8 t -155.0 -29.18 0.11 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.911 1.284 . . . . 0.0 113.662 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.48 1.042 0 C-N-CA 124.807 1.243 . . . . 0.0 112.259 178.726 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -70.3 -76.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.959 3.106 . . . . 0.0 112.807 -176.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -68.8 -31.32 70.24 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.082 0.953 . . . . 0.0 110.413 176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -54.79 -32.45 60.2 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.644 1.977 . . . . 0.0 112.636 177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -54.86 -44.59 74.12 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.486 1.039 . . . . 0.0 111.582 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -66.24 -48.28 71.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.507 0.723 . . . . 0.0 111.395 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -56.26 -50.42 71.41 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 126.14 1.776 . . . . 0.0 112.77 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.85 -32.27 69.24 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.292 1.437 . . . . 0.0 112.265 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -61.86 -46.02 91.25 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.823 0.738 . . . . 0.0 111.125 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -52.51 -37.6 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.819 1.248 . . . . 0.0 112.382 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -55.82 -34.5 65.43 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -61.31 -39.72 91.53 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 119.428 1.013 . . . . 0.0 111.631 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 71.6 m -73.39 -36.11 65.99 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.889 0.876 . . . . 0.0 111.056 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.95 -49.96 82.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 118.817 0.735 . . . . 0.0 109.542 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.41 -41.63 94.29 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.999 -0.438 . . . . 0.0 111.893 176.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.7 m -63.8 -43.44 96.26 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.449 0.7 . . . . 0.0 112.822 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -68.63 -41.58 79.25 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.568 -0.708 . . . . 0.0 110.522 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -58.77 -44.8 91.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.689 0.796 . . . . 0.0 110.315 174.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.6 -53.94 52.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.628 0.771 . . . . 0.0 109.751 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.72 -33.76 66.82 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 82.5 m -68.6 -12.42 61.3 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.209 1.004 . . . . 0.0 113.34 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -117.65 -22.19 8.17 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.956 1.703 . . . . 0.0 112.869 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 12.3 t -70.73 161.43 30.86 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.962 1.705 . . . . 0.0 113.097 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.66 -16.34 4.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.313 1.845 . . . . 0.0 114.086 -177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -63.37 129.63 41.06 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.877 0.871 . . . . 0.0 111.038 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.06 -40.56 77.05 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -144.7 74.12 1.4 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.757 2.023 . . . . 0.0 108.884 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.8 t -49.46 164.64 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 127.964 2.506 . . . . 0.0 114.776 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.0 p -64.66 -24.06 67.46 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.989 -1.069 . . . . 0.0 113.738 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.59 132.27 58.78 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 123.767 0.827 . . . . 0.0 110.603 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -65.23 -29.18 55.47 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 123.004 2.47 . . . . 0.0 112.752 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 p -77.35 -46.4 22.96 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.285 1.034 . . . . 0.0 112.254 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.74 -45.3 49.16 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.93 1.692 . . . . 0.0 111.762 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -53.5 -34.94 59.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.288 1.435 . . . . 0.0 113.337 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -90.02 -43.91 10.21 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.875 2.07 . . . . 0.0 112.006 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.3 mmt -55.68 -39.83 71.49 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.146 1.378 . . . . 0.0 112.348 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' NZ ' ' SG ' ' A' ' 23' ' ' CYS . 61.3 mttt -63.19 -44.85 94.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.881 0.472 . . . . 0.0 111.096 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -62.58 -40.59 97.37 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.981 0.912 . . . . 0.0 111.22 176.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 60' ' ' LEU . 59.7 t -62.53 -54.71 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.049 1.34 . . . . 0.0 111.617 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 p -63.58 -42.2 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.12 0.873 . . . . 0.0 110.604 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -54.74 -44.38 73.5 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.673 1.189 . . . . 0.0 112.166 175.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -60.57 -55.16 36.76 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 118.423 0.556 . . . . 0.0 109.956 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.3 m -60.78 -36.49 79.11 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -59.55 -11.52 4.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.258 1.823 . . . . 0.0 114.307 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.85 -9.96 2.12 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.004 1.288 . . . . 0.0 115.519 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 t -70.0 140.38 52.9 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.744 1.772 . . . . 0.0 112.529 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -113.35 11.49 18.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.531 1.932 . . . . 0.0 112.563 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -115.78 0.89 13.31 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.688 1.595 . . . . 0.0 113.717 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.61 146.7 0.5 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.926 2.49 . . . . 0.0 116.124 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.0 p 28.77 -79.53 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 130.377 3.471 . . . . 0.0 116.247 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -59.03 -28.58 66.55 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.241 1.416 . . . . 0.0 113.483 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -79.43 -49.91 5.99 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.156 0.884 . . . . 0.0 112.621 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.6 -10.83 1.94 Allowed Glycine 0 CA--C 1.538 1.522 0 N-CA-C 117.033 1.573 . . . . 0.0 117.033 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 41.0 t -54.91 122.96 44.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-N 119.622 1.711 . . . . 0.0 112.375 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -79.98 -17.96 10.44 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.732 2.288 . . . . 0.0 113.237 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.01 -59.52 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-N 120.075 1.307 . . . . 0.0 110.024 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.2 m -48.46 -53.8 16.54 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.454 1.102 . . . . 0.0 112.711 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -53.81 -31.08 47.83 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.358 1.863 . . . . 0.0 113.437 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -66.82 -41.87 86.8 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.22 1.008 . . . . 0.0 111.758 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.16 -46.55 83.52 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.542 0.61 . . . . 0.0 109.793 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mm -53.32 -46.8 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 CA-C-O 118.462 -0.78 . . . . 0.0 111.198 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.94 -53.84 53.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.478 1.035 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.24 -43.02 70.55 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.139 1.376 . . . . 0.0 111.63 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 73.3 m -70.9 -40.37 72.21 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.467 1.107 . . . . 0.0 112.075 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 65.9 m -58.73 -44.63 90.52 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.644 1.566 . . . . 0.0 110.766 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -56.34 -42.89 78.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.625 1.17 . . . . 0.0 111.882 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -75.46 -53.49 8.58 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.184 0.993 . . . . 0.0 111.557 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.94 -32.74 61.62 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.201 1.8 . . . . 0.0 114.695 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -57.11 -39.42 75.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.936 0.894 . . . . 0.0 111.691 175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -90.15 -25.82 20.49 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.867 1.267 . . . . 0.0 114.034 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.449 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 4.2 t -61.71 156.18 20.84 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.514 1.126 . . . . 0.0 113.322 -178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -139.55 3.82 2.12 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.98 136.41 52.69 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.194 1.361 . . . . 0.0 113.448 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -84.58 6.95 21.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.346 1.059 . . . . 0.0 111.445 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -115.34 3.57 14.22 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.962 2.905 . . . . 0.0 113.312 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.48 137.57 60.92 Favored Pre-proline 0 CA--C 1.561 1.392 0 C-N-CA 125.34 1.456 . . . . 0.0 110.597 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.45 -25.04 35.89 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.91 2.407 . . . . 0.0 115.56 -176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.38 128.18 91.49 Favored Pre-proline 0 N--CA 1.477 0.891 0 C-N-CA 124.116 0.966 . . . . 0.0 109.774 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -66.46 -36.32 27.02 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.092 1.861 . . . . 0.0 114.09 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.56 -28.72 46.02 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.401 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 49.4 t -52.5 -48.16 66.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.603 1.092 . . . . 0.0 111.589 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.97 -59.69 5.02 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.115 1.366 . . . . 0.0 110.777 175.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -51.96 -40.52 60.99 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 112.81 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.742 HG23 ' HE2' ' B' ' 746' ' ' MET . 53.6 mt -74.22 -58.26 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-O 117.937 -1.03 . . . . 0.0 111.067 178.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 10.0 ptpt -56.83 -38.15 72.23 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.71 1.595 . . . . 0.0 112.954 -178.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -57.35 -39.18 75.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.66 0.784 . . . . 0.0 111.254 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -76.25 -47.9 22.21 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.052 0.941 . . . . 0.0 111.452 176.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.89 -44.18 97.47 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -59.4 -37.01 76.91 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.453 1.101 . . . . 0.0 112.937 178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -71.72 -25.98 62.3 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.15 -23.54 47.68 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 124.288 1.035 . . . . 0.0 111.988 178.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.583 0 N-CA-C 115.601 1.0 . . . . 0.0 115.601 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 48.8 m -139.22 -15.08 1.12 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.389 1.476 . . . . 0.0 114.253 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -136.4 157.5 46.64 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.116 1.367 . . . . 0.0 112.256 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 28.6 ptm -83.26 -4.03 58.02 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 6.8 t -139.43 13.17 2.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.26 6.14 3.06 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.7 m -63.45 -16.0 17.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 126.225 1.81 . . . . 0.0 114.714 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.24 140.21 9.28 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.713 1.605 . . . . 0.0 112.067 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -64.35 -178.9 0.72 Allowed 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.902 3.068 . . . . 0.0 115.805 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 22.6 t -78.42 143.44 36.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.333 1.053 . . . . 0.0 110.724 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.27 158.83 30.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.708 1.603 . . . . 0.0 112.579 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 94.6 mt -144.31 151.05 38.82 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.342 1.857 . . . . 0.0 110.8 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -142.16 167.79 21.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.614 1.565 . . . . 0.0 111.798 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 55.4 p -137.5 -21.39 1.16 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.604 1.562 . . . . 0.0 113.272 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 17.9 p -68.27 -18.46 64.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.12 1.368 . . . . 0.0 114.119 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -66.43 1.45 1.65 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.736 2.015 . . . . 0.0 114.286 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -116.12 -0.4 12.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.212 1.405 . . . . 0.0 112.775 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.66 -16.51 57.28 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.042 0.937 . . . . 0.0 112.728 173.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 21.9 mt -32.77 107.47 0.27 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 128.238 2.615 . . . . 0.0 114.634 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.39 -2.62 12.81 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 124.107 3.205 . . . . 0.0 115.27 -176.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.0 ttp -145.5 144.71 30.72 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.881 1.273 . . . . 0.0 111.172 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 17.2 p -82.64 164.36 47.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.92 1.288 . . . . 0.0 113.795 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -37.16 98.6 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.159 2.573 . . . . 0.0 113.883 176.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.58 -42.69 82.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.746 0.819 . . . . 0.0 111.897 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.94 -47.45 68.66 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.822 -0.549 . . . . 0.0 110.068 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -56.28 -38.83 71.75 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.189 0.996 . . . . 0.0 111.916 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -62.08 -46.28 89.78 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.992 0.814 . . . . 0.0 111.443 176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -67.11 -29.89 69.76 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.29 -0.882 . . . . 0.0 112.006 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 62.9 t -69.27 -52.76 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 119.18 0.9 . . . . 0.0 109.189 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.8 t -54.65 -39.53 68.1 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.224 1.409 . . . . 0.0 112.24 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.9 -39.02 65.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.86 1.664 . . . . 0.0 112.955 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 28.7 mt -89.99 -45.57 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.036 0.934 . . . . 0.0 111.993 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.1 t -65.58 -31.42 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.336 1.054 . . . . 0.0 112.392 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.25 26.82 22.26 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.954 1.74 . . . . 0.0 115.051 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 38.9 m 52.16 26.26 3.79 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.305 1.842 . . . . 0.0 114.617 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . 0.444 HG13 ' H ' ' B' ' 742' ' ' GLU . 7.4 p -12.5 -70.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 129.702 3.201 . . . . 0.0 116.282 -177.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . 0.444 ' H ' HG13 ' B' ' 741' ' ' VAL . 13.8 mm-40 -146.3 26.18 1.2 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 0.0 108.425 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.429 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 4.7 t80 -39.56 -41.07 0.97 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 129.969 3.308 . . . . 0.0 118.681 -169.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.77 -7.61 49.23 Favored 'General case' 0 CA--C 1.552 1.053 0 O-C-N 120.64 -1.288 . . . . 0.0 114.135 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 75.8 m -118.02 10.74 13.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 127.038 2.135 . . . . 0.0 113.33 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.742 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.5 mmm -62.58 -17.46 60.12 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 120.856 -1.153 . . . . 0.0 112.595 176.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 16.4 mmt -65.96 -10.56 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.641 1.976 . . . . 0.0 113.08 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -137.14 152.31 49.82 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.442 2.297 . . . . 0.0 109.276 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 31.8 p -68.08 -41.94 81.16 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.67 -1.269 . . . . 0.0 110.706 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.478 0.947 0 C-N-CA 125.844 1.657 . . . . 0.0 112.114 179.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 CA--C 1.547 0.85 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.04 -75.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.808 3.006 . . . . 0.0 112.516 -176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -71.72 -27.42 62.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 110.873 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.28 -27.31 68.38 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.933 1.293 . . . . 0.0 113.18 177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -48.39 -47.4 37.62 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.089 0.955 . . . . 0.0 112.942 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -63.26 -52.51 61.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.876 0.871 . . . . 0.0 111.698 177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -54.88 -50.97 67.4 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.029 1.732 . . . . 0.0 112.575 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.8 -35.01 79.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.585 1.154 . . . . 0.0 111.663 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -69.05 -39.31 79.23 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.917 0.78 . . . . 0.0 111.748 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.6 mt -58.7 -39.52 76.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.818 0.847 . . . . 0.0 110.587 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -58.9 -36.29 74.44 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.348 -0.845 . . . . 0.0 112.341 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -63.48 -41.03 98.59 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.276 0.944 . . . . 0.0 110.646 175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.0 m -66.41 -39.93 89.27 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.57 0.748 . . . . 0.0 111.206 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.48 -49.08 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.548 0.739 . . . . 0.0 109.646 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.36 -40.2 85.68 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.409 0.549 . . . . 0.0 111.693 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.6 m -63.04 -44.53 95.64 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.702 0.801 . . . . 0.0 112.086 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 45.1 tp -67.73 -42.89 81.18 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.571 -0.705 . . . . 0.0 110.904 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.83 -44.85 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.207 1.003 . . . . 0.0 110.496 176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.85 -54.94 40.34 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.525 0.73 . . . . 0.0 109.412 175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.87 -32.86 64.06 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -65.77 -25.2 67.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.521 0.728 . . . . 0.0 112.63 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -102.46 -30.82 10.78 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.473 1.509 . . . . 0.0 111.767 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 13.0 t -72.77 155.19 40.2 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.007 1.723 . . . . 0.0 112.153 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.9 mmt-85 -134.78 -9.46 2.39 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.638 1.575 . . . . 0.0 114.042 -177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.57 120.69 9.32 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.084 1.354 . . . . 0.0 111.167 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.96 -26.06 67.4 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -130.31 42.81 3.21 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.863 1.665 . . . . 0.0 111.811 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.6 t -50.04 145.76 5.45 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.819 1.247 . . . . 0.0 112.107 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.7 p -63.13 -15.04 55.47 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.3 mt -82.67 126.14 74.08 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 119.015 0.825 . . . . 0.0 109.548 174.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -64.8 -33.82 52.06 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.601 2.2 . . . . 0.0 112.249 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 p -72.93 -42.71 63.2 Favored 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 124.003 0.921 . . . . 0.0 112.17 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 37' ' ' LYS . 49.1 t -50.82 -48.0 59.92 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.491 1.517 . . . . 0.0 112.002 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.03 -25.46 63.71 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.056 0.942 . . . . 0.0 113.167 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -90.0 -46.72 8.31 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.1 mmt -54.27 -38.96 66.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.94 1.696 . . . . 0.0 112.037 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' NZ ' ' SG ' ' A' ' 33' ' ' CYS . 57.4 mttt -62.96 -44.74 95.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.385 0.674 . . . . 0.0 111.493 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -65.03 -43.22 93.13 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.09 0.859 . . . . 0.0 111.199 176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 60' ' ' LEU . 65.3 t -58.16 -53.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.153 1.381 . . . . 0.0 111.723 177.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.57 -42.33 94.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 119.109 0.868 . . . . 0.0 110.832 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -55.87 -42.23 75.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.403 1.081 . . . . 0.0 112.05 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -60.01 -56.57 20.08 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.273 0.488 . . . . 0.0 110.155 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.9 m -59.75 -35.67 75.06 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.012 0.925 . . . . 0.0 112.882 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.8 mttm -59.15 -9.82 2.35 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.084 1.754 . . . . 0.0 114.03 175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.14 16.21 1.52 Allowed Glycine 0 CA--C 1.539 1.556 0 C-N-CA 125.155 1.359 . . . . 0.0 115.225 178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.9 t -59.64 148.47 33.61 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.319 1.56 . . . . 0.0 113.26 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -107.65 4.01 25.36 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 126.497 1.919 . . . . 0.0 112.867 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -134.81 -43.26 0.74 Allowed 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.58 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.278 0.0 OUTLIER 40.0 -168.54 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 128.541 2.737 . . . . 0.0 116.8 178.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -62.86 -32.89 74.23 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 119.68 -1.888 . . . . 0.0 113.056 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -68.04 -17.05 64.29 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.247 1.019 . . . . 0.0 113.62 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -118.88 -38.17 0.77 Allowed Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.221 1.391 . . . . 0.0 114.655 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.14 9.06 0.22 Allowed Glycine 0 CA--C 1.54 1.621 0 N-CA-C 118.125 2.01 . . . . 0.0 118.125 176.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.27 125.07 80.7 Favored Pre-proline 0 CA--C 1.547 0.849 0 CA-C-N 120.057 1.929 . . . . 0.0 113.15 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -75.89 -26.03 9.93 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.224 1.95 . . . . 0.0 111.982 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.0 t -72.34 -59.65 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.118 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.9 m -48.88 -53.38 19.74 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.762 0.825 . . . . 0.0 111.748 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -52.36 -33.27 42.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.813 1.645 . . . . 0.0 113.55 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -66.15 -43.85 85.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 111.59 176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -64.29 -48.91 73.9 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.771 0.714 . . . . 0.0 110.365 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.5 mm -56.36 -42.52 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 CA-C-O 118.104 -0.95 . . . . 0.0 111.632 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.81 -53.25 60.53 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.831 1.196 . . . . 0.0 109.92 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.22 -43.07 74.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.868 1.667 . . . . 0.0 111.66 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.61 -37.13 70.96 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.047 1.339 . . . . 0.0 112.17 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 63.3 m -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.554 1.525 . . . . 0.0 110.882 176.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.419 ' CE1' HD12 ' B' ' 737' ' ' ILE . 9.1 t80 -55.92 -38.77 70.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.458 1.103 . . . . 0.0 111.57 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -78.58 -56.47 4.4 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.727 1.211 . . . . 0.0 111.667 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.77 -31.68 59.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.557 1.543 . . . . 0.0 114.479 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' B' ' 738' ' ' VAL . 21.8 mttm -56.35 -41.95 76.97 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.108 0.963 . . . . 0.0 112.264 175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -90.09 -35.06 15.66 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.181 1.392 . . . . 0.0 113.126 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.7 t -60.83 146.78 45.09 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.002 0.921 . . . . 0.0 111.849 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -134.96 1.19 2.98 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.484 1.514 . . . . 0.0 113.18 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.49 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.9 tp10 -77.86 156.63 30.28 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.481 1.113 . . . . 0.0 111.425 178.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -110.67 -5.29 15.05 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.748 1.219 . . . . 0.0 113.664 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.31 18.08 9.82 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 127.932 2.493 . . . . 0.0 113.618 -177.663 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.46 138.12 50.31 Favored Pre-proline 0 CA--C 1.561 1.379 0 C-N-CA 126.462 1.905 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.32 -26.75 41.25 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.706 2.271 . . . . 0.0 115.029 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 52.3 t -69.5 125.38 91.93 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 119.074 0.852 . . . . 0.0 109.271 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -65.45 -36.37 34.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.016 1.811 . . . . 0.0 113.277 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -79.53 -25.94 41.58 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.8 t -50.47 -55.89 13.96 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.629 1.104 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -60.31 -48.7 80.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.049 0.54 . . . . 0.0 112.271 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -54.79 -45.87 74.37 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 112.327 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.53 -53.8 19.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 C-N-CA 124.141 0.976 . . . . 0.0 110.066 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -46.26 -52.85 11.77 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 127.049 2.14 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -55.27 -35.18 64.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -79.38 -39.46 32.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.866 -0.588 . . . . 0.0 111.383 175.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.53 -38.58 87.48 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.246 0.93 . . . . 0.0 113.398 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -53.08 -32.29 46.34 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-N 119.917 1.235 . . . . 0.0 113.53 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -74.84 -0.78 19.55 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.42 1.488 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -136.53 -39.61 0.65 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.362 1.465 . . . . 0.0 114.829 -176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 . . . . . 0 N--CA 1.476 0.825 0 C-N-CA 125.679 1.592 . . . . 0.0 111.767 176.625 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.551 0 N-CA-C 114.838 0.695 . . . . 0.0 114.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 46.4 t -154.16 150.72 28.42 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.817 1.647 . . . . 0.0 111.515 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -65.15 -15.66 62.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.61 1.164 . . . . 0.0 113.57 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 97.8 mmm -62.98 -10.66 14.58 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.335 1.454 . . . . 0.0 114.581 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 85.5 p -71.38 -7.06 44.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.937 1.295 . . . . 0.0 114.417 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -136.66 167.68 20.96 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.372 1.869 . . . . 0.0 111.977 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.84 166.54 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.063 1.745 . . . . 0.0 111.439 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -153.01 136.17 9.77 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 125.146 1.379 . . . . 0.0 110.26 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.44 -47.08 28.9 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 124.39 3.393 . . . . 0.0 115.807 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 54.2 m 53.65 35.28 20.73 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.121 2.168 . . . . 0.0 114.249 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 -74.01 66.62 1.21 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.621 1.969 . . . . 0.0 111.754 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.8 157.93 29.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.796 1.639 . . . . 0.0 113.007 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -114.52 29.47 7.99 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.293 1.437 . . . . 0.0 114.184 -172.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 9.0 t -141.92 147.34 36.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.545 1.138 . . . . 0.0 112.005 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 24.1 p -66.39 -26.57 67.31 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -63.37 -4.03 2.4 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.839 1.656 . . . . 0.0 115.042 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -115.76 2.76 13.72 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.565 1.146 . . . . 0.0 113.505 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.64 -18.54 59.91 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.822 0.849 . . . . 0.0 112.771 173.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 18.2 mt -28.14 108.49 0.22 Allowed Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 128.694 2.798 . . . . 0.0 114.16 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -79.56 -5.25 14.02 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.869 3.046 . . . . 0.0 115.546 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 50.6 ttp -141.5 147.1 37.27 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.247 1.419 . . . . 0.0 111.126 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.1 p -78.97 164.16 56.49 Favored Pre-proline 0 N--CA 1.475 0.779 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 -177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -67.55 -27.37 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 122.226 1.95 . . . . 0.0 112.356 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.83 -39.29 64.14 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.282 -0.886 . . . . 0.0 110.746 176.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -68.12 -46.67 70.23 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.409 0.683 . . . . 0.0 109.404 174.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -54.89 -38.11 67.17 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.884 0.874 . . . . 0.0 111.818 176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.66 -46.53 89.35 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.208 0.913 . . . . 0.0 111.467 176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -63.35 -32.32 73.71 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.28 -0.887 . . . . 0.0 111.95 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.94 -48.51 74.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 18.3 t -56.44 -39.34 72.95 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.995 1.318 . . . . 0.0 112.769 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -55.26 -39.89 70.31 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.815 0.846 . . . . 0.0 112.46 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 66' ' ' TYR . 26.8 mt -88.41 -47.41 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.833 0.853 . . . . 0.0 112.329 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . 0.441 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 62.7 t -65.4 -33.2 62.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.395 1.078 . . . . 0.0 112.429 -177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.09 24.75 22.3 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.135 1.35 . . . . 0.0 115.398 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 26.7 m 53.9 20.08 2.22 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.102 2.161 . . . . 0.0 116.463 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -1.69 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 129.374 3.07 . . . . 0.0 115.832 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -145.48 29.97 1.13 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 127.955 2.502 . . . . 0.0 108.788 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' B' ' 746' ' ' MET . 5.1 t80 -39.76 -42.16 1.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 129.636 3.175 . . . . 0.0 117.673 -171.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -68.38 -5.73 20.58 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 74.1 m -122.94 7.73 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.986 2.114 . . . . 0.0 113.832 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' B' ' 743' ' ' PHE . 3.1 mmm -60.05 -19.7 54.25 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 119.699 1.136 . . . . 0.0 112.5 175.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 21.1 mmt -67.8 -6.14 19.84 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.255 2.222 . . . . 0.0 113.195 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -134.55 165.52 25.01 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.913 2.085 . . . . 0.0 110.564 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 80.6 p -131.83 -26.98 1.93 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.158 1.783 . . . . 0.0 112.789 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 45.1 t . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.683 1.593 . . . . 0.0 111.203 179.074 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.66 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 124.046 3.164 . . . . 0.0 112.334 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -68.73 -28.59 66.95 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.577 0.751 . . . . 0.0 110.607 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -57.98 -36.52 72.72 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.424 0.69 . . . . 0.0 112.498 177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -52.37 -44.42 65.26 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.658 1.117 . . . . 0.0 112.82 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.9 mmt-85 -66.33 -52.91 42.38 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.387 1.475 . . . . 0.0 110.835 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -56.34 -48.32 77.01 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.246 1.818 . . . . 0.0 112.811 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.01 -33.84 75.37 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.596 1.158 . . . . 0.0 111.573 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -67.62 -43.56 80.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.43 0.692 . . . . 0.0 110.694 173.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -56.4 -42.47 74.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.22 1.008 . . . . 0.0 110.085 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -60.15 -35.29 74.98 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.306 -0.871 . . . . 0.0 112.816 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -64.82 -40.73 95.66 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 119.668 1.122 . . . . 0.0 110.669 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 73.1 m -65.39 -40.38 93.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.028 0.531 . . . . 0.0 111.009 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.73 -48.72 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 CA-C-N 118.859 0.754 . . . . 0.0 109.907 176.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -59.4 -39.44 83.4 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.45 0.568 . . . . 0.0 111.701 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.1 m -64.23 -43.45 94.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.535 0.734 . . . . 0.0 112.2 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 tp -68.81 -40.69 79.41 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.9 0.773 . . . . 0.0 110.751 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -59.85 -44.95 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.079 0.952 . . . . 0.0 110.42 175.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -59.3 -54.39 47.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.694 0.798 . . . . 0.0 109.274 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.4 -33.14 63.24 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.17 -24.05 65.84 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.723 0.809 . . . . 0.0 112.791 177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -100.74 -33.73 10.14 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.474 1.51 . . . . 0.0 111.261 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 9.3 t -71.64 159.16 34.9 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.398 1.879 . . . . 0.0 112.101 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -136.05 -11.79 1.96 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.081 1.353 . . . . 0.0 114.568 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -59.15 118.17 5.58 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.721 1.208 . . . . 0.0 111.715 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.44 -23.67 67.5 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.164 0.893 . . . . 0.0 113.224 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -131.77 43.06 3.1 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 126.84 2.056 . . . . 0.0 111.484 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -49.67 146.95 3.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.127 1.371 . . . . 0.0 112.435 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.6 p -62.3 -16.66 55.36 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -83.44 128.49 64.04 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 118.91 0.777 . . . . 0.0 109.365 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -63.15 -39.33 39.64 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.534 2.156 . . . . 0.0 112.507 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -70.99 -42.01 70.21 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.413 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.03 -47.48 53.18 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.291 1.436 . . . . 0.0 112.469 178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -56.61 -37.13 70.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.602 0.761 . . . . 0.0 112.561 175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -78.89 -45.42 20.66 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.535 1.534 . . . . 0.0 111.196 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 mmt -55.96 -41.92 75.46 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.314 1.446 . . . . 0.0 112.193 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 mttt -61.23 -45.62 93.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.256 0.622 . . . . 0.0 111.309 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -65.79 -36.84 84.65 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.52 0.728 . . . . 0.0 111.314 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.08 -53.82 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.555 1.142 . . . . 0.0 111.471 175.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -62.67 -43.17 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 119.129 0.877 . . . . 0.0 110.583 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -56.96 -43.59 81.73 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.782 1.233 . . . . 0.0 111.97 175.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -57.55 -56.59 19.96 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 m -58.78 -39.12 80.09 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.317 0.647 . . . . 0.0 112.738 -177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.45 -14.56 12.87 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.84 2.056 . . . . 0.0 114.265 176.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.31 -3.28 4.35 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 125.293 1.425 . . . . 0.0 115.046 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -69.99 157.02 38.27 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.89 1.345 . . . . 0.0 112.567 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -120.23 4.82 10.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.824 2.05 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 45.5 mtm180 -96.77 -63.42 1.14 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.146 1.379 . . . . 0.0 110.465 178.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.392 0.0 OUTLIER 44.32 -176.29 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 128.255 2.622 . . . . 0.0 116.937 -176.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 61' ' ' ILE . 28.3 p -61.98 -26.03 67.97 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.359 -1.463 . . . . 0.0 112.119 177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -10.14 59.26 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.279 1.832 . . . . 0.0 113.104 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -132.36 -34.3 0.37 Allowed Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.845 1.212 . . . . 0.0 114.978 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.1 8.16 1.05 Allowed Glycine 0 CA--C 1.539 1.575 0 N-CA-C 117.544 1.778 . . . . 0.0 117.544 176.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 25.2 t -53.16 128.79 49.28 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 119.592 1.696 . . . . 0.0 114.204 -179.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.22 -28.45 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.614 1.543 . . . . 0.0 111.373 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.56 -53.83 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 119.253 0.933 . . . . 0.0 110.812 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -55.24 -50.77 68.59 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.775 0.716 . . . . 0.0 111.132 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -55.59 -29.6 59.37 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.859 -1.15 . . . . 0.0 112.917 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -68.18 -54.23 19.34 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.596 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.85 -30.88 71.17 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.919 1.236 . . . . 0.0 111.075 175.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.861 HG22 ' CE1' ' B' ' 743' ' ' PHE . 22.0 mm -64.32 -40.72 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.702 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.49 -50.4 74.05 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.769 1.168 . . . . 0.0 109.305 173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.96 -46.09 74.99 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.392 1.877 . . . . 0.0 112.317 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 99.1 m -71.16 -36.82 72.16 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.779 1.232 . . . . 0.0 111.851 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -62.82 -41.26 99.24 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.061 1.3 . . . . 0.0 111.161 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -59.55 -43.49 93.53 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.769 0.828 . . . . 0.0 111.055 176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -68.58 -57.46 5.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.871 0.869 . . . . 0.0 111.614 176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.42 -28.39 59.28 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.304 1.442 . . . . 0.0 113.908 -178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -58.39 -42.75 87.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.102 0.961 . . . . 0.0 111.863 174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -90.12 -31.18 17.21 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.603 1.161 . . . . 0.0 113.755 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.9 t -60.61 145.41 49.07 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.224 1.01 . . . . 0.0 112.339 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -133.66 2.27 3.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.337 1.455 . . . . 0.0 112.772 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.0 tp10 -80.42 155.59 27.04 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.998 1.319 . . . . 0.0 111.269 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -114.3 0.31 14.1 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -125.3 18.18 8.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.793 2.437 . . . . 0.0 112.958 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.53 137.72 41.46 Favored Pre-proline 0 CA--C 1.559 1.307 0 C-N-CA 126.866 2.066 . . . . 0.0 111.379 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.23 -24.6 37.71 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.748 2.299 . . . . 0.0 114.908 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -70.31 123.74 89.48 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 123.826 0.85 . . . . 0.0 109.26 178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -65.45 -31.69 51.02 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.049 1.833 . . . . 0.0 113.445 -177.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -82.4 -27.43 32.05 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.6 t -50.98 -53.96 28.57 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.9 1.227 . . . . 0.0 111.596 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -61.83 -47.59 84.36 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.844 -0.535 . . . . 0.0 112.364 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -57.95 -43.47 86.39 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.473 0.709 . . . . 0.0 112.119 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.421 HG23 ' HE2' ' B' ' 746' ' ' MET . 78.7 mt -70.03 -50.68 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.278 1.031 . . . . 0.0 110.144 177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -50.63 -48.25 58.17 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.064 1.746 . . . . 0.0 111.827 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.33 -37.27 72.26 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.783 0.833 . . . . 0.0 113.054 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -80.01 -42.13 24.45 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.203 1.001 . . . . 0.0 112.218 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -66.82 -45.64 77.66 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.416 1.087 . . . . 0.0 113.532 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.5 mmt-85 -64.61 -16.56 62.91 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.469 1.108 . . . . 0.0 113.941 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -132.09 27.65 4.51 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.376 1.871 . . . . 0.0 112.326 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.66 139.17 45.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.309 1.044 . . . . 0.0 113.471 -177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 125.651 1.58 . . . . 0.0 111.404 -177.143 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.263 0 N-CA-C 114.745 0.658 . . . . 0.0 114.745 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 77.3 p -49.61 -27.64 4.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.424 1.89 . . . . 0.0 114.985 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -60.44 -19.71 57.34 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.568 1.547 . . . . 0.0 113.793 175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.83 -28.29 0.97 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.004 1.321 . . . . 0.0 114.232 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.7 p -73.76 -26.34 60.6 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.745 1.157 . . . . 0.0 113.275 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -138.35 9.67 2.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.602 1.961 . . . . 0.0 112.793 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 34.8 m 41.74 33.89 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.506 2.722 . . . . 0.0 114.952 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -134.64 82.03 46.1 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.428 1.891 . . . . 0.0 110.477 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -72.67 178.28 6.5 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.424 2.75 . . . . 0.0 113.273 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 36.9 m 59.59 174.47 0.08 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.485 2.314 . . . . 0.0 115.55 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 -0.28 2.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.332 1.453 . . . . 0.0 114.566 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.44 159.25 42.61 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.733 2.013 . . . . 0.0 110.649 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -141.63 173.46 11.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.625 1.57 . . . . 0.0 111.597 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 5.1 m 49.72 61.91 2.92 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 126.334 1.854 . . . . 0.0 114.127 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 3.0 m -54.29 135.95 43.91 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.286 1.434 . . . . 0.0 112.482 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -157.46 -179.0 7.76 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.03 1.732 . . . . 0.0 109.739 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 61.85 -10.25 0.08 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.256 2.622 . . . . 0.0 116.649 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 66.9 mt -60.38 -18.38 50.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.284 1.034 . . . . 0.0 110.225 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.1 mt -31.52 100.69 0.16 Allowed Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 129.512 3.125 . . . . 0.0 112.691 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.65 0.64 9.87 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.729 2.952 . . . . 0.0 115.294 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 40.2 ttp -139.63 145.15 38.15 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.894 1.277 . . . . 0.0 111.236 -177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -78.88 157.32 76.58 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 125.201 1.4 . . . . 0.0 113.099 -176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.97 -41.88 68.25 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.386 2.724 . . . . 0.0 114.585 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.16 -36.24 74.57 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.43 -0.794 . . . . 0.0 112.524 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -68.53 -47.44 66.9 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.5 -37.83 70.94 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.755 1.222 . . . . 0.0 111.856 175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.31 -45.5 76.32 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.321 -0.862 . . . . 0.0 111.544 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -65.73 -28.66 69.21 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.325 -0.86 . . . . 0.0 111.603 175.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.7 -52.53 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.449 -0.782 . . . . 0.0 109.083 171.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 62.9 m -56.31 -37.47 69.96 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.76 1.224 . . . . 0.0 112.745 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -53.63 -39.69 65.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.214 1.805 . . . . 0.0 112.169 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 22.1 mt -89.35 -46.91 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.102 0.961 . . . . 0.0 111.838 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 97.3 t -61.55 -33.47 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 124.293 1.037 . . . . 0.0 112.336 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.84 26.46 40.65 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 125.566 1.555 . . . . 0.0 115.537 178.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 68.1 p 54.36 16.03 1.14 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.781 2.432 . . . . 0.0 117.281 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . 0.42 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.3 p -7.65 -67.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 130.21 3.404 . . . . 0.0 116.919 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . 0.42 ' H ' HG13 ' B' ' 741' ' ' VAL . 85.6 mt-10 -146.94 22.39 1.23 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.457 2.303 . . . . 0.0 109.432 174.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.861 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.5 t80 -44.58 -39.53 5.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.912 3.285 . . . . 0.0 117.622 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -70.63 5.6 1.8 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.103 1.361 . . . . 0.0 113.987 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 8.2 t -138.39 10.45 2.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.61 1.564 . . . . 0.0 114.153 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.421 ' HE2' HG23 ' A' ' 84' ' ' ILE . 5.4 mmm -56.16 -26.51 50.78 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 119.832 -1.792 . . . . 0.0 114.578 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.03 -8.84 58.13 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.694 1.198 . . . . 0.0 113.548 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -98.29 154.95 17.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 111.666 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 47.1 p -71.2 -31.15 67.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.421 1.088 . . . . 0.0 113.631 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.89 0 C-N-CA 126.188 1.795 . . . . 0.0 111.916 -178.645 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.55 0.972 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -68.76 -63.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.903 3.069 . . . . 0.0 113.936 -175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -90.18 -20.36 23.16 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.186 0.994 . . . . 0.0 111.169 175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -54.29 -35.74 62.92 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.619 1.568 . . . . 0.0 112.465 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p -53.84 -43.26 69.33 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 118.82 0.736 . . . . 0.0 111.747 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -68.02 -51.52 46.13 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.245 1.418 . . . . 0.0 110.526 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -53.82 -49.19 68.9 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.382 1.473 . . . . 0.0 112.767 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.39 -38.82 85.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.735 1.214 . . . . 0.0 111.226 178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -65.92 -38.36 88.48 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.962 0.801 . . . . 0.0 112.253 175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mt -58.69 -41.25 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.234 -0.916 . . . . 0.0 109.991 175.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -60.44 -38.44 84.13 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.314 -0.866 . . . . 0.0 112.222 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -60.97 -42.43 98.29 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 119.273 0.942 . . . . 0.0 110.522 174.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 64.3 m -65.6 -41.33 92.92 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.807 0.843 . . . . 0.0 111.325 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -60.62 -49.82 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.023 0.929 . . . . 0.0 109.608 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -58.77 -40.37 83.71 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.448 0.567 . . . . 0.0 111.703 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -63.83 -44.46 93.12 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.63 0.772 . . . . 0.0 112.329 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.4 tp -68.02 -42.48 80.57 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.59 -0.694 . . . . 0.0 110.774 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 t -58.48 -44.61 89.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.314 1.045 . . . . 0.0 110.392 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -60.15 -53.36 58.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.609 0.764 . . . . 0.0 109.778 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -33.2 67.0 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.6 m -67.99 -13.62 62.32 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.145 0.978 . . . . 0.0 113.191 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -116.06 -23.39 8.53 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.864 1.665 . . . . 0.0 112.887 179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.84 162.77 28.63 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.914 1.685 . . . . 0.0 113.325 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.55 -14.49 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.947 2.099 . . . . 0.0 113.704 -178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.82 122.47 16.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.249 1.019 . . . . 0.0 111.765 -179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.06 -24.96 67.62 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.87 53.62 1.59 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.603 1.961 . . . . 0.0 110.494 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -50.4 151.08 2.31 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.435 1.494 . . . . 0.0 112.888 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.7 p -64.66 -17.59 64.2 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -82.32 127.02 72.74 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.664 0.785 . . . . 0.0 109.954 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.11 -30.97 55.47 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 122.648 2.232 . . . . 0.0 112.168 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.5 p -73.67 -45.55 51.84 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.259 1.024 . . . . 0.0 112.014 177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.3 t -50.36 -46.89 56.16 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.575 1.55 . . . . 0.0 111.915 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -55.74 -30.68 61.62 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.669 1.187 . . . . 0.0 113.51 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -90.18 -45.32 9.18 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.771 2.028 . . . . 0.0 112.315 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.4 mmt -54.61 -38.84 67.28 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.449 1.499 . . . . 0.0 112.031 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttt -61.64 -43.54 98.67 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.451 0.701 . . . . 0.0 111.593 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -64.35 -41.84 96.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.055 0.942 . . . . 0.0 110.682 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 60' ' ' LEU . 72.3 t -61.79 -52.9 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.575 0 C-N-CA 124.924 1.29 . . . . 0.0 111.887 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -64.93 -42.48 94.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.08 0.854 . . . . 0.0 110.804 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -56.43 -42.7 78.5 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.393 1.077 . . . . 0.0 111.837 175.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 32.3 t60 -57.94 -57.7 11.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.302 0.501 . . . . 0.0 109.819 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -58.92 -38.62 79.36 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -59.01 -17.02 21.29 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.699 2.0 . . . . 0.0 114.293 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.05 -5.15 5.33 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.179 1.371 . . . . 0.0 114.749 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.1 t -67.78 152.63 45.28 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.725 1.263 . . . . 0.0 112.409 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -121.42 6.97 10.1 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.831 2.053 . . . . 0.0 112.136 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 28.3 mtm180 -96.31 -64.71 1.02 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.818 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.42 0.0 OUTLIER 46.45 -176.63 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 127.599 2.36 . . . . 0.0 115.946 -175.47 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.2 p -54.37 -45.75 72.87 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.493 1.517 . . . . 0.0 113.918 -177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -69.26 -9.96 55.57 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.1 -35.55 1.63 Allowed Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.539 1.066 . . . . 0.0 113.704 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.12 2.81 1.79 Allowed Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.877 1.511 . . . . 0.0 116.877 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.9 t -58.46 124.76 73.31 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 119.546 1.673 . . . . 0.0 114.082 -178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.32 -25.44 4.76 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.868 1.712 . . . . 0.0 111.89 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.4 t -74.91 -59.39 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 117.55 -1.214 . . . . 0.0 110.232 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.411 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 94.3 m -48.07 -52.71 19.13 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.147 0.885 . . . . 0.0 112.101 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -53.49 -34.63 58.73 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.855 1.662 . . . . 0.0 113.399 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -64.26 -42.64 96.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.095 0.958 . . . . 0.0 111.601 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD11 ' CG1' ' A' ' 39' ' ' VAL . 5.9 mp -64.02 -47.18 81.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 118.887 -0.578 . . . . 0.0 109.907 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -53.79 -45.5 62.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.865 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.91 -53.76 54.78 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.327 0.967 . . . . 0.0 110.247 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -42.49 70.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.018 1.727 . . . . 0.0 111.725 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 79.3 m -71.2 -42.92 68.34 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.972 1.309 . . . . 0.0 112.09 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 62.3 m -56.83 -45.04 82.6 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 120.388 1.449 . . . . 0.0 111.556 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -57.39 -30.32 64.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.414 1.486 . . . . 0.0 112.681 178.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -88.86 -55.76 3.56 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.552 1.141 . . . . 0.0 110.535 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.28 -37.27 55.09 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.19 2.196 . . . . 0.0 115.427 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -58.78 -45.77 89.08 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.992 0.901 . . . . 0.0 112.943 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -79.22 -15.93 57.29 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.53 1.932 . . . . 0.0 112.753 176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.97 158.31 26.62 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.327 1.051 . . . . 0.0 113.528 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -142.75 -6.9 0.86 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.682 1.593 . . . . 0.0 114.145 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.7 tp10 -75.78 149.76 37.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.874 -1.141 . . . . 0.0 112.459 -178.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.37 -5.21 21.95 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.672 1.189 . . . . 0.0 113.411 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -123.25 18.21 9.87 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.49 2.716 . . . . 0.0 112.727 -178.278 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.33 139.86 65.32 Favored Pre-proline 0 CA--C 1.561 1.365 0 C-N-CA 126.637 1.975 . . . . 0.0 110.421 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.4 -28.13 22.56 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.573 2.182 . . . . 0.0 115.724 -174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.97 127.62 90.37 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 124.017 0.927 . . . . 0.0 110.243 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -66.28 -35.8 30.59 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.547 2.165 . . . . 0.0 114.308 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.64 -29.32 45.78 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.403 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 51.2 t -51.02 -51.22 55.29 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.548 1.067 . . . . 0.0 112.608 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HA ' ' HE3' ' A' ' 85' ' ' LYS . 2.7 mm? -58.31 -53.78 54.39 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.696 -0.627 . . . . 0.0 111.26 176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -56.77 -45.42 82.11 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.26 0.624 . . . . 0.0 112.517 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.689 HG23 ' HE2' ' B' ' 746' ' ' MET . 51.9 mt -69.21 -52.43 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 118.614 -0.707 . . . . 0.0 111.325 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 82' ' ' LEU . 10.8 ptpt -58.09 -43.65 87.17 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 120.169 1.35 . . . . 0.0 111.723 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -60.83 -42.96 98.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.27 0.941 . . . . 0.0 112.089 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -65.53 -42.26 92.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.019 0.928 . . . . 0.0 111.83 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.39 -51.26 30.98 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.128 0.971 . . . . 0.0 112.446 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.3 mmt-85 -55.56 -37.11 67.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.395 1.078 . . . . 0.0 113.151 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -73.91 -9.77 58.98 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.57 -24.15 9.39 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.325 1.45 . . . . 0.0 113.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 125.449 1.5 . . . . 0.0 112.05 177.565 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.49 0 N-CA-C 114.793 0.677 . . . . 0.0 114.793 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 80.4 p -68.89 -15.71 63.57 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.424 1.49 . . . . 0.0 114.482 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -136.52 158.54 44.2 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.245 1.818 . . . . 0.0 111.256 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -153.25 169.82 22.11 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.899 1.68 . . . . 0.0 111.898 -178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 25.9 m -60.63 157.96 13.48 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.011 1.324 . . . . 0.0 113.654 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -146.27 176.92 9.4 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.487 1.515 . . . . 0.0 111.854 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.84 -14.36 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -145.88 74.59 13.34 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.772 1.629 . . . . 0.0 110.792 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.21 -177.1 3.63 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.185 3.257 . . . . 0.0 112.525 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 20.5 t -66.07 163.87 16.56 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.082 0.953 . . . . 0.0 111.707 176.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.81 -8.86 12.03 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.04 151.61 45.57 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.257 2.623 . . . . 0.0 109.02 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 -140.25 154.4 46.85 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.552 1.141 . . . . 0.0 111.056 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 61.6 p -79.72 -25.81 41.02 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 16.6 p 40.76 60.54 1.9 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.453 1.901 . . . . 0.0 113.669 -178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -138.77 7.95 2.54 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.306 1.442 . . . . 0.0 114.868 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -127.01 -1.52 6.52 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.87 -13.61 36.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 111.896 172.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 17.4 mt -31.71 106.81 0.25 Allowed Pre-proline 0 CA--C 1.553 1.085 0 C-N-CA 128.531 2.732 . . . . 0.0 114.317 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.78 -5.98 15.73 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 124.006 3.137 . . . . 0.0 115.35 -176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.2 ttp -140.39 146.29 38.17 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.208 1.403 . . . . 0.0 110.847 -176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 19.6 t -77.62 149.45 77.98 Favored Pre-proline 0 N--CA 1.472 0.666 0 C-N-CA 125.181 1.392 . . . . 0.0 112.215 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.74 -32.61 46.46 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.371 2.714 . . . . 0.0 113.694 174.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.72 -36.16 67.74 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.316 -0.865 . . . . 0.0 112.586 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -72.84 -44.9 60.85 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.207 1.003 . . . . 0.0 108.722 175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -55.18 -36.84 66.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.804 1.241 . . . . 0.0 111.445 174.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -66.65 -45.34 79.29 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.236 -0.915 . . . . 0.0 111.136 176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -61.95 -35.62 78.97 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 120.981 -1.074 . . . . 0.0 111.38 174.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -63.15 -47.33 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.545 -0.722 . . . . 0.0 109.181 173.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 49.2 m -59.97 -35.54 75.2 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.269 1.028 . . . . 0.0 112.946 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.42 -35.58 76.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.819 0.848 . . . . 0.0 112.131 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . . . . . . . . . 15.3 mt -89.75 -46.83 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.547 1.139 . . . . 0.0 112.338 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.9 -33.9 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.429 1.092 . . . . 0.0 112.454 -178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 61.04 20.59 58.14 Favored Glycine 0 CA--C 1.541 1.694 0 C-N-CA 124.598 1.095 . . . . 0.0 115.681 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 15.8 m 52.37 24.57 2.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.954 2.102 . . . . 0.0 116.496 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -10.24 -71.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 C-N-CA 129.466 3.106 . . . . 0.0 117.155 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -144.06 27.23 1.46 Allowed 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 126.594 1.958 . . . . 0.0 109.902 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -39.46 -39.28 0.67 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 130.169 3.388 . . . . 0.0 119.442 -170.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -72.47 -3.36 23.84 Favored 'General case' 0 CA--C 1.552 1.046 0 O-C-N 120.601 -1.312 . . . . 0.0 114.341 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 30.7 t -121.36 6.7 10.14 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.213 2.205 . . . . 0.0 113.245 -177.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.689 ' HE2' HG23 ' A' ' 84' ' ' ILE . 9.2 mmm -59.74 -16.06 24.7 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 119.932 -1.73 . . . . 0.0 115.363 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -14.14 62.7 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.334 1.054 . . . . 0.0 111.788 173.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -103.43 140.27 37.69 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.631 1.972 . . . . 0.0 109.764 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.3 m -66.85 -25.66 66.53 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.799 1.239 . . . . 0.0 113.647 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 125.917 1.687 . . . . 0.0 110.877 179.266 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -69.25 -82.47 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.315 3.343 . . . . 0.0 112.681 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.18 -21.0 63.09 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.222 -0.924 . . . . 0.0 111.066 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.27 -39.52 69.91 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.134 1.373 . . . . 0.0 111.8 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -57.5 -39.58 76.79 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.768 0.713 . . . . 0.0 111.414 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -67.8 -53.32 28.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.948 0.899 . . . . 0.0 110.446 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -53.97 -49.7 68.2 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.138 1.775 . . . . 0.0 112.697 -177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.02 -38.29 82.39 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.097 1.359 . . . . 0.0 111.693 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 m -66.95 -36.62 82.64 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.379 -0.826 . . . . 0.0 112.057 176.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mt -62.18 -40.28 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.343 -0.848 . . . . 0.0 109.931 175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -60.1 -40.07 88.39 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.174 -0.954 . . . . 0.0 111.544 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 -63.4 -37.56 87.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.081 -1.012 . . . . 0.0 111.229 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.4 m -66.12 -40.39 90.64 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.964 0.506 . . . . 0.0 110.824 174.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.7 -48.0 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.97 0.908 . . . . 0.0 109.534 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.14 -42.88 81.79 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 118.846 0.748 . . . . 0.0 111.412 175.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.6 m -63.56 -44.19 94.86 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.783 0.833 . . . . 0.0 112.401 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.39 -41.95 79.75 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.468 -0.77 . . . . 0.0 110.945 177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.44 -44.69 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.36 1.064 . . . . 0.0 110.291 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -59.73 -53.96 51.95 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.579 0.752 . . . . 0.0 109.582 174.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.79 -32.71 65.94 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.9 m -66.76 -20.43 65.95 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.662 0.785 . . . . 0.0 112.67 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -105.38 -34.15 7.93 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.605 1.562 . . . . 0.0 111.533 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.55 159.05 35.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.043 1.737 . . . . 0.0 111.284 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.4 mmt-85 -134.8 -19.07 1.83 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.65 135.57 57.42 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.517 1.053 . . . . 0.0 113.567 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.79 -27.5 67.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.783 1.233 . . . . 0.0 113.504 174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -132.5 44.75 2.84 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.676 1.991 . . . . 0.0 112.062 -175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 t -52.03 146.54 8.53 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.5 1.12 . . . . 0.0 111.097 177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.8 p -61.51 -16.84 51.22 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.05 128.51 67.86 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 119.321 0.964 . . . . 0.0 109.825 174.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -64.83 -33.97 51.09 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 122.674 2.249 . . . . 0.0 112.468 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.9 p -73.11 -45.76 55.11 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.953 0.901 . . . . 0.0 112.301 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.3 t -48.73 -48.21 40.81 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.611 1.564 . . . . 0.0 112.593 178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -56.19 -37.04 69.07 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.561 -0.712 . . . . 0.0 112.789 176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -79.51 -44.68 20.76 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.18 1.392 . . . . 0.0 111.083 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.9 mmt -57.07 -38.27 73.07 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.374 1.469 . . . . 0.0 112.487 178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -64.56 -47.1 79.99 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.868 -0.52 . . . . 0.0 110.958 174.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -63.8 -35.77 81.72 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.776 0.716 . . . . 0.0 110.867 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG13 HD11 ' A' ' 60' ' ' LEU . 39.9 t -63.72 -54.81 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 112.021 174.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.36 -42.52 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 119.618 1.099 . . . . 0.0 110.804 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -57.22 -41.01 78.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.259 1.024 . . . . 0.0 112.018 176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 24.8 t60 -61.35 -58.74 7.02 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 117.803 0.274 . . . . 0.0 110.308 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.6 m -59.97 -34.06 72.77 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -56.04 -18.22 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.402 1.881 . . . . 0.0 113.641 175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.59 -6.81 3.24 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.897 1.236 . . . . 0.0 115.434 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 51.9 t -65.21 130.22 42.56 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.475 1.638 . . . . 0.0 111.565 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -98.97 3.07 46.94 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.302 1.441 . . . . 0.0 112.396 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.17 -67.18 0.87 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.368 1.467 . . . . 0.0 109.262 -179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.429 0.0 OUTLIER 43.88 -160.92 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.869 2.067 . . . . 0.0 116.13 179.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -54.11 -31.75 52.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.186 1.395 . . . . 0.0 113.859 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -74.4 -37.77 63.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.513 1.125 . . . . 0.0 113.6 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -29.01 9.79 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.953 1.263 . . . . 0.0 114.855 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.98 8.86 7.1 Favored Glycine 0 CA--C 1.535 1.342 0 N-CA-C 116.819 1.488 . . . . 0.0 116.819 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 9.7 t -60.29 126.72 84.95 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.915 1.857 . . . . 0.0 111.407 178.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.56 -15.77 13.63 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.696 2.264 . . . . 0.0 113.003 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.44 -60.58 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 119.828 1.195 . . . . 0.0 110.132 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 89.7 m -49.49 -50.62 40.64 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.481 1.112 . . . . 0.0 112.642 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -59.29 -23.65 62.61 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.763 1.625 . . . . 0.0 113.117 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.67 -42.25 15.5 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.669 1.188 . . . . 0.0 112.925 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG13 ' A' ' 39' ' ' VAL . 7.7 mp -56.97 -49.74 74.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.534 1.516 . . . . 0.0 109.888 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' B' ' 743' ' ' PHE . 68.0 mt -60.46 -35.19 61.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 124.342 1.057 . . . . 0.0 111.747 -176.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.43 -50.95 65.54 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.819 1.191 . . . . 0.0 109.011 173.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.98 -40.3 73.09 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.401 1.48 . . . . 0.0 110.918 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 80.0 m -69.96 -43.02 72.38 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.259 1.424 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.79 -43.98 85.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 120.448 1.476 . . . . 0.0 111.373 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.0 t80 -54.63 -30.6 55.4 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.355 1.062 . . . . 0.0 112.935 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -89.24 -52.84 4.84 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.781 1.632 . . . . 0.0 111.235 176.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.57 61.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.597 1.959 . . . . 0.0 115.442 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -57.84 -39.27 77.28 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.376 0.989 . . . . 0.0 111.18 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -90.07 -34.42 15.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.253 1.421 . . . . 0.0 113.537 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.4 t -60.69 145.34 49.66 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.742 0.817 . . . . 0.0 112.873 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -135.49 3.38 3.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.575 1.55 . . . . 0.0 113.285 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 9.1 tp10 -88.19 149.5 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.03 -1.044 . . . . 0.0 112.721 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -103.65 -2.08 27.13 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.937 1.695 . . . . 0.0 113.677 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 47.4 mttm -115.7 7.57 14.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 128.073 2.549 . . . . 0.0 112.728 -178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.41 133.86 43.35 Favored Pre-proline 0 CA--C 1.557 1.233 0 C-N-CA 126.674 1.99 . . . . 0.0 111.114 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.05 -25.19 22.98 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.896 2.397 . . . . 0.0 115.272 -175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.68 122.21 86.57 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 123.951 0.9 . . . . 0.0 109.414 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.6 -34.82 62.31 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.519 2.146 . . . . 0.0 114.662 -175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -79.9 -27.08 40.01 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 20.0 t -55.09 -52.26 63.78 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.067 1.303 . . . . 0.0 111.222 -178.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.5 mt -51.69 -47.35 63.91 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.234 2.214 . . . . 0.0 112.177 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -69.49 -44.66 70.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.429 1.092 . . . . 0.0 111.994 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 58.4 mt -65.96 -52.45 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 123.822 0.849 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' NZ ' ' SG ' ' A' ' 81' ' ' CYS . 4.3 ptpp? -54.75 -37.81 66.41 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.339 1.427 . . . . 0.0 113.115 -179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -65.85 -46.33 78.87 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.718 0.407 . . . . 0.0 111.603 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -67.85 -46.08 72.76 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.719 -0.613 . . . . 0.0 112.33 -178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.3 -27.75 66.15 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -93.45 -18.93 21.76 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.939 1.295 . . . . 0.0 114.321 177.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -108.44 -18.12 13.82 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.06 -39.57 78.81 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 . . . . . 0 N--CA 1.472 0.626 0 C-N-CA 126.955 2.102 . . . . 0.0 111.271 -177.056 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.36 0 N-CA-C 114.827 0.691 . . . . 0.0 114.827 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 76.3 p -58.86 -14.28 8.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.187 1.795 . . . . 0.0 115.468 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -124.63 22.06 8.35 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.524 1.93 . . . . 0.0 110.928 177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 94.4 mtp -133.13 -27.63 1.59 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.179 1.792 . . . . 0.0 113.042 -177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 62.0 p -56.96 153.87 10.47 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.892 1.277 . . . . 0.0 113.542 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 58.41 14.73 3.09 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.463 1.905 . . . . 0.0 115.98 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.56 -48.96 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.079 0.952 . . . . 0.0 113.379 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -150.12 65.86 7.6 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.844 2.058 . . . . 0.0 110.491 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.96 172.06 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 124.481 3.454 . . . . 0.0 118.419 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 48.0 t -155.44 156.0 34.53 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.624 1.57 . . . . 0.0 112.067 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.63 -6.65 45.69 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.256 1.422 . . . . 0.0 113.608 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 51.9 tp -69.79 81.25 0.45 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.324 2.25 . . . . 0.0 110.692 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -131.84 160.15 36.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.511 1.524 . . . . 0.0 111.065 -177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 37.2 p -60.68 -12.61 10.88 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 44.1 p -66.24 -22.1 66.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.916 1.286 . . . . 0.0 113.679 177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -55.98 -8.14 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.307 2.643 . . . . 0.0 117.156 -177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -122.66 -1.1 9.04 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.776 1.23 . . . . 0.0 113.624 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.44 -23.73 66.05 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.894 0.77 . . . . 0.0 111.119 171.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 23.7 mt -32.63 101.07 0.19 Allowed Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 128.641 2.777 . . . . 0.0 115.186 -177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -74.01 -7.98 20.58 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.012 2.475 . . . . 0.0 114.506 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 37.1 ttp -133.85 148.26 51.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.394 1.078 . . . . 0.0 113.203 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.2 m -84.75 159.14 58.5 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 125.364 1.466 . . . . 0.0 113.039 -176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.75 -42.91 59.84 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.459 2.773 . . . . 0.0 114.59 177.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.51 -31.3 68.34 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.445 -0.784 . . . . 0.0 112.997 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -72.54 -46.18 55.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -58.29 -38.05 76.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.947 0.899 . . . . 0.0 111.508 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -62.22 -46.03 90.72 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.888 0.875 . . . . 0.0 110.663 173.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -61.77 -36.15 80.21 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.314 -0.866 . . . . 0.0 112.184 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.99 -45.99 82.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 48.9 m -57.77 -37.78 74.26 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.064 0.946 . . . . 0.0 112.356 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -60.12 -39.26 85.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.61 1.164 . . . . 0.0 112.754 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.449 HD12 ' CE1' ' A' ' 66' ' ' TYR . 20.4 mt -88.84 -43.72 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.108 0.963 . . . . 0.0 112.892 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.69 -31.75 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.749 0.82 . . . . 0.0 111.578 -178.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 52.16 26.29 20.23 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.979 1.276 . . . . 0.0 115.11 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.6 m 53.48 22.57 2.98 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.957 2.103 . . . . 0.0 115.833 -177.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -5.29 -73.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 129.331 3.052 . . . . 0.0 116.105 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.08 27.84 1.04 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 128.239 2.616 . . . . 0.0 108.032 178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 61' ' ' ILE . 7.6 t80 -44.67 -37.4 3.65 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 130.03 3.332 . . . . 0.0 119.166 -170.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -75.99 1.87 14.18 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.556 -1.34 . . . . 0.0 114.164 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 50.0 m -118.93 4.68 11.43 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.29 1.836 . . . . 0.0 113.522 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.4 mmm -58.88 -19.84 45.82 Favored 'General case' 0 N--CA 1.483 1.196 0 O-C-N 120.817 -1.177 . . . . 0.0 112.989 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 18.9 mmt -67.73 -13.01 61.75 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.939 2.096 . . . . 0.0 114.082 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -127.81 152.7 47.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.609 1.563 . . . . 0.0 111.474 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 4.3 m -60.75 -35.27 75.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.578 1.151 . . . . 0.0 113.232 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 126.104 1.762 . . . . 0.0 111.416 -178.583 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.84 -77.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 124.049 3.166 . . . . 0.0 112.245 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -68.9 -23.7 64.22 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.118 0.967 . . . . 0.0 111.424 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.31 -29.43 67.62 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.908 0.883 . . . . 0.0 112.661 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -50.38 -45.17 55.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.425 1.011 . . . . 0.0 112.802 178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.41 -52.51 52.88 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.868 1.267 . . . . 0.0 111.046 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.87 -50.44 68.7 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.793 1.637 . . . . 0.0 112.766 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.4 mt -65.18 -36.42 84.15 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.635 1.174 . . . . 0.0 111.234 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.6 m -67.57 -40.95 84.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.59 -0.694 . . . . 0.0 111.424 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mt -58.17 -41.9 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.9 0.88 . . . . 0.0 110.113 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -59.59 -37.91 79.82 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.329 -0.857 . . . . 0.0 112.471 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.38 -39.65 94.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.445 1.02 . . . . 0.0 110.942 174.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 70.7 m -66.05 -39.87 90.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.94 0.496 . . . . 0.0 111.274 175.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -59.89 -49.16 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 118.887 0.767 . . . . 0.0 109.484 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -59.32 -39.7 83.95 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.362 0.528 . . . . 0.0 111.705 176.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.3 m -63.79 -43.71 95.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.554 0.742 . . . . 0.0 112.269 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.42 -41.99 79.6 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.477 -0.764 . . . . 0.0 110.61 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.18 -44.99 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.308 1.043 . . . . 0.0 110.42 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -58.56 -55.41 35.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.883 0.873 . . . . 0.0 109.423 174.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -34.92 65.63 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -64.72 -21.08 66.67 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.734 0.814 . . . . 0.0 112.893 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -108.94 -29.2 8.72 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.617 1.567 . . . . 0.0 112.432 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.0 t -70.07 143.21 52.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.967 1.707 . . . . 0.0 111.825 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -114.57 -10.58 12.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.719 1.607 . . . . 0.0 114.162 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -59.98 123.22 16.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.323 1.049 . . . . 0.0 110.484 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.2 -36.92 68.95 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -144.32 68.15 1.26 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.303 1.841 . . . . 0.0 109.74 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -48.03 161.2 0.11 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 127.101 2.16 . . . . 0.0 114.297 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.9 p -64.98 -21.95 66.92 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.3 mt -80.52 132.81 57.44 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-N 118.833 0.742 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -65.01 -29.73 57.0 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.216 2.611 . . . . 0.0 113.036 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -80.92 -44.12 18.76 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 124.097 0.959 . . . . 0.0 112.523 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.8 t -49.57 -46.34 48.8 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.43 1.492 . . . . 0.0 112.131 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -52.86 -38.06 61.1 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.384 1.474 . . . . 0.0 112.88 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -84.37 -45.21 13.0 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.153 1.781 . . . . 0.0 111.09 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mmt -55.42 -40.21 71.2 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.22 1.408 . . . . 0.0 112.505 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -64.23 -44.9 90.42 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.899 0.48 . . . . 0.0 111.177 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -62.4 -41.33 98.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.652 0.781 . . . . 0.0 111.027 176.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.451 ' CG1' HD11 ' A' ' 60' ' ' LEU . 64.0 t -61.73 -54.02 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.798 1.639 . . . . 0.0 112.031 178.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.68 -43.15 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 119.22 0.918 . . . . 0.0 110.599 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -56.87 -42.6 80.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.575 1.15 . . . . 0.0 111.967 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -57.79 -57.02 14.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.449 0.568 . . . . 0.0 109.697 175.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.7 m -58.87 -39.63 81.96 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -59.73 -14.61 15.09 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.672 1.989 . . . . 0.0 113.992 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.24 -0.69 5.01 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 125.18 1.371 . . . . 0.0 115.198 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.2 t -73.97 153.52 39.72 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.356 1.578 . . . . 0.0 112.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -115.44 0.35 13.36 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.475 1.91 . . . . 0.0 112.034 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 64.9 mtm180 -94.7 -63.35 1.18 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.908 1.283 . . . . 0.0 111.48 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' NZ ' ' SG ' ' A' ' 57' ' ' CYS 0.425 0.0 OUTLIER 46.45 -174.85 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.068 2.147 . . . . 0.0 115.997 -175.424 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 p -54.4 -41.29 69.09 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.709 1.603 . . . . 0.0 114.052 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -70.06 -22.81 63.03 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.8 -35.93 4.14 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.382 0.991 . . . . 0.0 113.799 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.01 6.07 2.03 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 116.729 1.452 . . . . 0.0 116.729 176.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 17.6 t -55.65 124.69 57.91 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 119.587 1.694 . . . . 0.0 113.785 -179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -78.45 -24.68 7.48 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 121.856 1.704 . . . . 0.0 111.881 177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.67 -60.01 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-O 117.855 -1.069 . . . . 0.0 109.933 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.409 ' SG ' ' NZ ' ' A' ' 49' ' ' LYS . 98.9 m -49.03 -52.56 24.55 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.191 0.905 . . . . 0.0 112.487 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -55.18 -30.85 60.75 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.021 1.328 . . . . 0.0 113.357 177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -66.08 -44.66 83.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.687 0.795 . . . . 0.0 111.249 175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD11 ' CG1' ' A' ' 39' ' ' VAL . 6.2 mp -62.35 -49.57 75.06 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.623 0.647 . . . . 0.0 110.37 176.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.418 HG22 ' CE1' ' B' ' 743' ' ' PHE . 17.2 mm -56.85 -42.15 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 117.991 -1.004 . . . . 0.0 111.476 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.1 61.84 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 120.012 1.278 . . . . 0.0 109.791 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.82 -42.49 75.79 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.434 1.493 . . . . 0.0 111.818 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 74.3 m -71.65 -38.18 70.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.208 1.403 . . . . 0.0 111.918 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 61.2 m -61.75 -41.96 98.35 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.462 1.483 . . . . 0.0 110.36 174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.446 ' HA ' ' HE3' ' A' ' 69' ' ' LYS . 7.9 t80 -54.6 -43.57 72.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.39 0.676 . . . . 0.0 111.583 178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -75.63 -54.01 7.66 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.261 1.424 . . . . 0.0 112.489 176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -26.42 43.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.609 1.564 . . . . 0.0 114.766 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 66' ' ' TYR . 6.6 mtmp? -54.45 -47.52 72.8 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.644 0.778 . . . . 0.0 111.404 174.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -90.26 -30.14 17.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.224 1.41 . . . . 0.0 114.409 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.22 143.44 57.82 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.905 0.86 . . . . 0.0 113.235 -176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -133.33 0.59 3.38 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.19 1.396 . . . . 0.0 113.107 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 7.8 tp10 -76.69 153.37 35.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.293 1.037 . . . . 0.0 111.809 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -108.53 -3.63 17.92 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.909 1.283 . . . . 0.0 113.649 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 1.1 mppt? -123.25 15.36 9.78 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 128.511 2.724 . . . . 0.0 112.806 -178.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.7 t -53.55 135.04 53.8 Favored Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 126.643 1.977 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.86 -26.13 32.32 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.845 2.364 . . . . 0.0 115.382 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.04 122.79 88.29 Favored Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 119.331 0.969 . . . . 0.0 109.162 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -64.13 -34.8 56.2 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 122.161 1.907 . . . . 0.0 113.596 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -80.57 -20.4 43.46 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 115.338 1.606 . . . . 0.0 115.338 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.2 t -59.21 -53.48 57.81 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 120.001 1.273 . . . . 0.0 109.648 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.15 -44.28 61.41 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.623 2.369 . . . . 0.0 112.641 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -75.52 -44.08 45.56 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.068 0.947 . . . . 0.0 112.603 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.0 mt -69.53 -50.79 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 123.774 0.83 . . . . 0.0 111.866 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -53.32 -40.79 65.1 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.004 0.921 . . . . 0.0 113.022 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -56.02 -40.25 73.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.77 0.828 . . . . 0.0 112.199 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -78.08 -41.71 34.46 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.402 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.11 -43.14 99.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.391 0.996 . . . . 0.0 112.558 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.3 mmt-85 -60.73 -27.77 68.18 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.139 0.976 . . . . 0.0 112.765 177.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -82.24 -7.98 59.63 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.659 1.183 . . . . 0.0 113.844 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -102.04 -6.91 22.81 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.057 1.343 . . . . 0.0 113.668 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.604 1.562 . . . . 0.0 112.817 179.303 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.293 0 N-CA-C 114.015 0.366 . . . . 0.0 114.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 63.3 p -60.83 -23.14 64.87 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.947 1.299 . . . . 0.0 113.613 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -71.46 -12.04 61.19 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.109 1.764 . . . . 0.0 113.645 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 21.9 mmt 61.4 -178.62 0.12 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.991 2.117 . . . . 0.0 113.317 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 9.3 t -158.99 173.28 16.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 111.78 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -136.0 13.36 3.35 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.71 2.004 . . . . 0.0 112.51 177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 11.9 p -150.99 156.12 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 126.703 2.001 . . . . 0.0 110.536 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -140.66 129.12 12.73 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.541 1.536 . . . . 0.0 109.73 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -54.17 170.84 0.44 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.98 3.12 . . . . 0.0 117.733 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 98.7 p -162.76 -179.4 6.8 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.198 1.799 . . . . 0.0 111.851 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.28 139.51 23.37 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.627 1.971 . . . . 0.0 109.344 177.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 79.7 mt -118.72 -1.42 11.1 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -140.34 158.02 44.66 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.074 1.35 . . . . 0.0 111.155 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 36.3 p -69.16 -27.35 65.45 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.182 0.993 . . . . 0.0 113.266 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 21.7 p -148.66 169.01 21.32 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.026 2.13 . . . . 0.0 110.959 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 61.0 -14.31 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.322 2.649 . . . . 0.0 117.09 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -114.18 -0.17 14.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.859 1.664 . . . . 0.0 111.982 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.25 -13.97 33.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.399 1.08 . . . . 0.0 111.616 173.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 13.4 mt -36.22 104.65 0.27 Allowed Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 128.027 2.531 . . . . 0.0 113.577 -177.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -79.42 -5.21 14.11 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.501 2.801 . . . . 0.0 114.682 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 51.1 ttp -138.82 146.07 40.84 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.934 1.694 . . . . 0.0 110.318 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 61.7 m -91.81 159.6 37.89 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 125.337 1.455 . . . . 0.0 113.6 -176.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -49.58 -41.66 44.31 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.915 3.077 . . . . 0.0 115.678 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -38.48 86.71 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 118.997 0.817 . . . . 0.0 112.49 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.46 -47.21 64.7 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.553 0.741 . . . . 0.0 109.206 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -55.78 -40.6 72.86 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 111.484 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -63.26 -44.35 95.4 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.325 -0.86 . . . . 0.0 111.419 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -65.77 -30.89 71.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.007 0.821 . . . . 0.0 111.656 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 51.8 t -66.98 -54.11 27.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.328 -0.858 . . . . 0.0 109.134 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 60.0 m -57.24 -35.02 69.2 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.337 1.055 . . . . 0.0 113.192 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -54.92 -40.12 69.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.549 1.54 . . . . 0.0 112.051 176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 66' ' ' TYR . 16.0 mt -90.13 -47.56 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.863 0.865 . . . . 0.0 111.796 178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 94.7 t -62.43 -33.26 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.102 0.961 . . . . 0.0 112.439 -177.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 56.74 24.31 47.95 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.123 1.344 . . . . 0.0 115.317 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 19.7 m 54.94 18.21 2.14 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.907 2.083 . . . . 0.0 116.159 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -4.79 -72.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 129.773 3.229 . . . . 0.0 116.539 179.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.97 28.57 1.24 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.609 1.964 . . . . 0.0 109.515 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.418 ' CE1' HG22 ' A' ' 61' ' ' ILE . 3.6 t80 -41.42 -42.92 2.42 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.803 2.841 . . . . 0.0 118.551 -170.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -76.83 2.78 13.53 Favored 'General case' 0 CA--C 1.551 1.015 0 O-C-N 120.521 -1.362 . . . . 0.0 113.559 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 3.8 t -124.88 7.6 8.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.79 2.436 . . . . 0.0 112.712 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmm -58.87 -33.56 70.62 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.131 -1.606 . . . . 0.0 112.731 177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . 0.402 ' HE1' HG13 ' A' ' 61' ' ' ILE . 2.1 mpt? -82.14 -30.77 30.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.443 1.497 . . . . 0.0 112.833 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -58.25 -17.93 22.87 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.924 2.09 . . . . 0.0 115.317 -175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 8.7 t -66.33 -17.58 64.85 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.252 -0.905 . . . . 0.0 112.935 176.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.361 1.864 . . . . 0.0 112.431 177.693 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -68.2 -60.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.801 3.001 . . . . 0.0 113.351 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -89.98 -30.12 18.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.044 1.338 . . . . 0.0 110.505 175.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -58.7 -26.66 64.09 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 127.408 2.283 . . . . 0.0 115.099 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 p -51.36 -47.47 62.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.364 1.438 . . . . 0.0 112.819 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -66.88 -48.59 68.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.105 0.962 . . . . 0.0 111.376 176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -53.98 -48.11 70.71 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.419 1.888 . . . . 0.0 112.894 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.36 -35.7 71.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.772 1.629 . . . . 0.0 112.151 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 m -64.99 -40.66 95.29 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.716 0.689 . . . . 0.0 111.706 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.1 mt -58.82 -35.21 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.079 0.952 . . . . 0.0 111.61 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -55.93 -35.74 66.95 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.27 -0.894 . . . . 0.0 112.442 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -64.5 -41.52 96.4 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.915 0.886 . . . . 0.0 110.808 177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.54 -41.43 93.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.917 0.887 . . . . 0.0 110.516 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -59.94 -49.84 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.517 0.727 . . . . 0.0 110.285 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.37 -40.39 86.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.793 0.724 . . . . 0.0 111.712 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -63.53 -44.44 94.23 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.473 0.709 . . . . 0.0 112.186 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.78 -43.01 80.78 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.654 -0.654 . . . . 0.0 110.753 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -58.6 -44.64 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.21 1.004 . . . . 0.0 110.526 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -59.14 -55.36 36.02 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.344 0.658 . . . . 0.0 109.307 174.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.12 -33.22 62.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -68.04 -25.32 65.31 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.98 0.912 . . . . 0.0 112.921 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.04 -32.14 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.308 1.443 . . . . 0.0 111.073 178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.2 t -68.94 157.71 36.12 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.131 1.772 . . . . 0.0 111.683 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -133.57 -9.7 2.82 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.515 1.526 . . . . 0.0 113.908 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -62.06 117.0 5.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.609 1.164 . . . . 0.0 110.315 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.95 -26.11 65.72 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -140.95 55.66 1.57 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.029 1.732 . . . . 0.0 110.723 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -50.11 158.85 0.49 Allowed 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.54 1.936 . . . . 0.0 113.92 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.3 p -65.82 -20.77 66.37 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.201 1.185 . . . . 0.0 114.201 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -82.66 130.15 59.61 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 118.984 0.811 . . . . 0.0 110.094 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -64.32 -32.02 62.01 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.862 2.375 . . . . 0.0 113.002 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.0 p -75.29 -46.0 36.27 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.031 0.932 . . . . 0.0 112.29 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 50.2 t -48.94 -46.19 42.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.845 1.658 . . . . 0.0 112.424 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.69 -40.78 63.28 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.816 1.246 . . . . 0.0 112.658 175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -82.7 -42.4 18.11 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.085 1.754 . . . . 0.0 111.536 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.2 mmt -56.07 -44.5 78.97 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.811 1.244 . . . . 0.0 112.367 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -61.93 -43.38 98.97 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.89 0.768 . . . . 0.0 111.775 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -64.88 -34.86 79.39 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.168 0.987 . . . . 0.0 111.818 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 HD11 ' A' ' 60' ' ' LEU . 43.0 t -66.59 -49.35 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.579 1.552 . . . . 0.0 110.245 176.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.02 -58.38 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.531 1.132 . . . . 0.0 109.344 175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -49.87 -43.52 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.802 1.641 . . . . 0.0 113.225 176.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 35.3 t60 -57.47 -57.41 12.78 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.695 0.68 . . . . 0.0 109.699 175.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -59.16 -38.36 79.54 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.342 0.657 . . . . 0.0 112.754 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -57.6 -15.28 6.98 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.423 1.889 . . . . 0.0 114.284 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.82 -5.33 3.17 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 125.055 1.312 . . . . 0.0 115.113 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 4.0 t -67.29 143.75 56.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.251 1.526 . . . . 0.0 112.575 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -112.68 6.59 18.31 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.318 1.847 . . . . 0.0 112.434 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 54' ' ' CYS . 53.2 mtm180 -91.14 -64.4 1.13 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.008 1.323 . . . . 0.0 108.524 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . 0.534 0.1 OUTLIER 40.96 -172.96 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.632 HG22 ' HG2' ' A' ' 58' ' ' LYS . 35.2 p -55.86 -29.7 60.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.803 1.641 . . . . 0.0 113.428 -177.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -80.24 -9.91 59.74 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.831 1.253 . . . . 0.0 114.288 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.94 -34.82 0.71 Allowed Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.558 1.075 . . . . 0.0 114.765 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.33 7.71 1.66 Allowed Glycine 0 CA--C 1.537 1.44 0 N-CA-C 117.15 1.62 . . . . 0.0 117.15 176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 48' ' ' ARG . 39.7 t -52.44 125.85 36.65 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 119.684 1.742 . . . . 0.0 113.928 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.8 -24.79 9.77 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 121.553 1.502 . . . . 0.0 111.94 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.2 t -78.49 -59.09 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 119.508 1.049 . . . . 0.0 110.094 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.8 m -51.61 -50.0 61.08 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.392 0.997 . . . . 0.0 112.786 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HG2' HG22 ' A' ' 50' ' ' THR . 57.9 mtpt -56.95 -28.56 62.3 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.019 0.827 . . . . 0.0 112.668 177.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -69.5 -46.38 66.73 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.155 0.982 . . . . 0.0 112.295 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 39' ' ' VAL . 6.8 mp -60.45 -49.92 75.64 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 118.734 0.697 . . . . 0.0 110.297 177.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.525 HG22 ' CE1' ' B' ' 743' ' ' PHE . 5.4 mm -56.37 -44.89 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.805 -176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.67 -52.65 64.22 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.59 1.086 . . . . 0.0 110.561 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.89 -43.0 72.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.65 1.18 . . . . 0.0 111.225 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 78.9 m -69.03 -40.23 78.73 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.466 1.106 . . . . 0.0 111.877 176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 45.9 m -59.55 -45.75 90.89 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 120.495 1.498 . . . . 0.0 110.7 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' CE1' HD12 ' B' ' 737' ' ' ILE . 6.4 t80 -53.55 -41.46 66.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.364 1.066 . . . . 0.0 112.013 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -76.11 -53.77 7.82 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.498 1.119 . . . . 0.0 111.542 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.65 -28.29 60.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.918 1.687 . . . . 0.0 115.15 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -59.76 -40.52 88.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.405 1.002 . . . . 0.0 111.517 175.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -90.08 -32.61 16.62 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.604 1.161 . . . . 0.0 113.712 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.4 t -63.5 144.84 56.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.596 0.758 . . . . 0.0 112.454 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -133.38 -2.77 3.07 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.011 1.324 . . . . 0.0 113.899 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' HG3' ' H ' ' A' ' 75' ' ' LYS . 8.1 tp10 -79.33 157.35 27.69 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.065 -1.022 . . . . 0.0 111.537 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.65 -4.37 17.14 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.528 1.531 . . . . 0.0 114.246 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' H ' ' HG3' ' A' ' 73' ' ' GLU . 69.5 mmtt -118.96 14.48 13.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.902 2.481 . . . . 0.0 113.758 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.42 136.89 31.46 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 126.318 1.847 . . . . 0.0 111.583 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.75 -26.28 27.78 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.623 2.215 . . . . 0.0 115.169 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.22 128.52 93.86 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.038 0.935 . . . . 0.0 110.013 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -65.15 -30.15 55.59 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.895 1.73 . . . . 0.0 114.203 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -90.01 -25.71 20.71 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 42.9 t -49.8 -53.49 24.97 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.825 1.193 . . . . 0.0 111.646 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.0 mm? -59.57 -47.67 84.67 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.696 0.798 . . . . 0.0 112.373 177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -60.35 -40.02 89.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.431 0.693 . . . . 0.0 112.439 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.0 mt -76.83 -54.5 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.815 0.846 . . . . 0.0 111.389 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -54.49 -36.03 63.73 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.593 1.088 . . . . 0.0 113.678 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -67.76 -21.09 65.28 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -90.24 -42.98 10.69 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.817 0.847 . . . . 0.0 109.445 173.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.5 -32.95 74.55 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.611 1.165 . . . . 0.0 113.784 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -54.95 -27.58 44.7 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.437 1.495 . . . . 0.0 114.281 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -60.9 -21.32 63.22 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.294 1.438 . . . . 0.0 113.186 177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -71.63 -14.14 61.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.869 1.268 . . . . 0.0 112.95 176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 N--CA 1.472 0.657 0 C-N-CA 126.378 1.871 . . . . 0.0 110.797 -179.483 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.421 0 N-CA-C 114.038 0.375 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 42.9 m 61.12 -178.78 0.11 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.368 1.867 . . . . 0.0 114.091 -178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -67.05 148.12 52.32 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.05 -1.031 . . . . 0.0 111.791 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 58.8 mtt -135.06 24.0 3.55 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.321 1.448 . . . . 0.0 112.708 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 99.5 p -144.14 174.25 11.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.463 1.505 . . . . 0.0 112.531 -178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 38.6 mp0 -72.79 16.99 0.12 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.672 1.989 . . . . 0.0 114.614 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 47.3 t -135.79 130.63 49.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.97 1.708 . . . . 0.0 110.076 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -160.07 157.47 25.23 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 126.594 1.958 . . . . 0.0 109.835 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -65.27 -179.65 1.2 Allowed 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 123.379 2.719 . . . . 0.0 114.785 178.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 18.3 m -74.64 29.06 0.09 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.95 2.1 . . . . 0.0 113.873 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -123.99 9.55 8.75 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.08 2.152 . . . . 0.0 113.414 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 20.4 tp -145.53 147.67 32.38 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.043 1.737 . . . . 0.0 109.549 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 54.14 20.17 2.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.852 1.661 . . . . 0.0 114.502 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 22.8 p -59.52 -51.51 69.56 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 120.54 -1.35 . . . . 0.0 113.729 -176.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 10.8 p -66.2 12.16 0.07 Allowed 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 116.818 2.155 . . . . 0.0 116.818 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -140.99 9.39 2.13 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.654 1.981 . . . . 0.0 111.474 171.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -128.78 -5.17 5.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.046 1.738 . . . . 0.0 113.826 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.73 -16.23 6.06 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.338 1.055 . . . . 0.0 111.803 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 14.9 mt -32.12 106.19 0.25 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 128.667 2.787 . . . . 0.0 114.272 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.72 -6.54 16.97 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.836 3.024 . . . . 0.0 114.771 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 52.4 ttp -143.81 146.09 32.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.35 1.86 . . . . 0.0 109.813 -177.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 4.8 p -81.61 163.46 54.0 Favored Pre-proline 0 N--CA 1.475 0.815 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.2 -34.15 98.26 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.926 2.417 . . . . 0.0 113.209 175.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.88 -36.9 67.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.811 0.844 . . . . 0.0 111.71 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -71.31 -45.13 63.75 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.453 -0.779 . . . . 0.0 109.566 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.08 -37.53 69.46 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.685 1.194 . . . . 0.0 111.611 175.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -61.71 -43.07 99.56 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.481 -0.762 . . . . 0.0 111.471 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -67.53 -31.93 72.37 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.229 -0.919 . . . . 0.0 111.557 175.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 72.7 t -67.56 -49.63 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 O-C-N 121.355 -0.841 . . . . 0.0 109.507 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 24.5 t -55.98 -40.15 72.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 112.059 177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -54.69 -39.55 68.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.817 1.647 . . . . 0.0 113.129 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 66' ' ' TYR . 29.7 mt -90.06 -44.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.336 1.054 . . . . 0.0 112.667 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.97 -30.4 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 123.934 0.893 . . . . 0.0 112.32 -177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 54.0 27.42 37.56 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 125.412 1.482 . . . . 0.0 114.611 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 16.3 m 55.35 18.47 2.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.633 1.973 . . . . 0.0 115.324 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . 0.501 HG13 ' H ' ' B' ' 742' ' ' GLU . 5.6 p -1.76 -74.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 130.03 3.332 . . . . 0.0 116.11 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . 0.501 ' H ' HG13 ' B' ' 741' ' ' VAL . 39.5 mt-10 -146.66 30.7 0.98 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.644 2.377 . . . . 0.0 108.95 175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . 0.525 ' CE1' HG22 ' A' ' 61' ' ' ILE . 6.8 t80 -40.13 -44.21 1.77 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.929 2.892 . . . . 0.0 118.675 -170.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.25 5.62 5.33 Favored 'General case' 0 CA--C 1.552 1.038 0 O-C-N 120.662 -1.274 . . . . 0.0 113.785 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 12.1 t -117.62 -5.7 11.15 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.876 2.07 . . . . 0.0 112.498 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . . . . . . . . . 1.5 mmm -55.07 -22.45 16.23 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 120.337 -1.477 . . . . 0.0 114.797 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 64.3 mtt -88.1 4.1 46.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.805 1.642 . . . . 0.0 113.762 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -143.28 155.31 44.45 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.772 1.229 . . . . 0.0 112.656 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 7.0 t -145.95 11.91 1.24 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.574 1.549 . . . . 0.0 113.573 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.481 1.105 0 C-N-CA 124.667 1.187 . . . . 0.0 113.615 -178.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 CA--C 1.554 1.105 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.22 -61.09 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.037 3.158 . . . . 0.0 114.212 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -90.03 -22.55 21.81 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.015 0.926 . . . . 0.0 110.611 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -52.77 -40.99 63.67 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.673 1.589 . . . . 0.0 112.671 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -55.23 -42.42 73.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.57 0.623 . . . . 0.0 111.528 176.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -69.32 -50.97 41.65 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.073 1.749 . . . . 0.0 110.602 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -54.19 -48.57 70.82 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.601 1.56 . . . . 0.0 112.105 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -70.26 -32.47 70.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.014 1.326 . . . . 0.0 112.102 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.6 m -70.21 -39.98 74.85 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.97 0.804 . . . . 0.0 111.857 175.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mt -57.43 -39.15 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.38 1.072 . . . . 0.0 110.691 176.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -58.85 -35.92 73.73 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.239 -0.913 . . . . 0.0 112.846 176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -64.54 -40.37 95.47 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.411 1.005 . . . . 0.0 110.772 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -64.72 -42.16 95.44 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.566 0.746 . . . . 0.0 110.621 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.4 mt -58.93 -50.13 80.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.72 0.808 . . . . 0.0 110.148 176.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -59.74 -39.71 85.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.845 -0.535 . . . . 0.0 112.029 176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -64.17 -43.23 95.75 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.522 0.729 . . . . 0.0 112.297 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -67.84 -40.93 83.64 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.543 -0.723 . . . . 0.0 110.371 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.4 t -59.22 -45.03 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.853 0.861 . . . . 0.0 110.595 175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -59.11 -54.13 50.55 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.666 0.786 . . . . 0.0 109.463 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.49 -34.23 66.74 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.1 m -68.44 -12.35 61.05 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.1 0.96 . . . . 0.0 113.437 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -115.91 -27.87 6.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.924 1.69 . . . . 0.0 112.292 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 11.2 t -68.54 164.64 20.83 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.213 1.805 . . . . 0.0 112.608 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.07 -16.16 2.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.517 1.927 . . . . 0.0 114.999 -177.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -62.44 119.6 9.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.154 0.982 . . . . 0.0 111.471 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.47 67.24 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -141.1 55.93 1.55 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.652 1.981 . . . . 0.0 110.186 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.3 t -49.66 152.78 1.35 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.278 1.831 . . . . 0.0 113.091 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.9 p -64.48 -18.58 64.92 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.49 127.18 74.18 Favored Pre-proline 0 CA--C 1.543 0.683 0 CA-C-N 118.843 0.747 . . . . 0.0 109.513 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -63.66 -32.25 68.98 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.67 2.246 . . . . 0.0 112.236 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.1 p -72.14 -48.21 45.31 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.284 1.034 . . . . 0.0 112.0 177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 48.2 t -49.1 -47.5 45.16 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.673 1.589 . . . . 0.0 112.605 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -55.96 -36.42 67.78 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.479 -0.763 . . . . 0.0 112.995 176.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -81.16 -45.59 16.16 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.844 1.657 . . . . 0.0 110.932 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.7 mmt -56.82 -40.57 76.25 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.327 1.451 . . . . 0.0 112.654 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -62.64 -47.03 85.5 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.986 -0.446 . . . . 0.0 110.763 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -65.77 -35.79 81.72 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 121.52 -0.738 . . . . 0.0 111.805 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG13 HD11 ' A' ' 60' ' ' LEU . 45.2 t -61.55 -53.92 41.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.312 1.445 . . . . 0.0 111.277 173.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 p -63.99 -42.54 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.515 1.052 . . . . 0.0 110.824 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -58.24 -40.79 82.65 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.131 0.972 . . . . 0.0 112.17 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' CYS . 39.8 t60 -59.17 -57.18 14.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.0 m -58.31 -38.58 77.38 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -56.13 -19.1 11.9 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.623 1.969 . . . . 0.0 113.776 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.73 -4.96 4.61 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.114 1.34 . . . . 0.0 115.545 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.403 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 1.6 t -66.12 135.19 54.24 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.211 1.506 . . . . 0.0 112.274 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -104.85 11.16 34.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.313 1.845 . . . . 0.0 113.378 -177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.76 -54.5 2.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 117.617 -1.183 . . . . 0.0 110.968 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' ' 54' ' ' CYS 0.487 0.0 OUTLIER 42.67 -164.91 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 178.369 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -55.08 -31.14 60.96 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.927 1.291 . . . . 0.0 113.805 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.02 -32.92 57.44 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.6 -32.94 6.66 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.723 1.154 . . . . 0.0 113.769 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.29 10.65 1.89 Allowed Glycine 0 CA--C 1.536 1.382 0 N-CA-C 116.667 1.427 . . . . 0.0 116.667 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 49' ' ' LYS . 49.1 t -56.76 122.95 55.35 Favored Pre-proline 0 C--O 1.242 0.68 0 CA-C-N 119.65 1.725 . . . . 0.0 113.222 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -79.26 -18.96 10.79 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.986 1.791 . . . . 0.0 112.014 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.31 -60.16 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 119.748 1.158 . . . . 0.0 110.123 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.2 m -49.81 -51.9 36.29 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.312 0.96 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -56.61 -28.38 60.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.474 1.51 . . . . 0.0 113.414 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -67.59 -43.3 80.86 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.995 0.918 . . . . 0.0 111.285 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD11 HG13 ' A' ' 39' ' ' VAL . 6.3 mp -62.23 -48.04 81.75 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.525 0.602 . . . . 0.0 109.919 176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mm -54.54 -44.95 70.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.305 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -53.91 51.86 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 119.429 1.013 . . . . 0.0 110.555 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -42.17 73.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.442 1.497 . . . . 0.0 111.576 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.9 m -72.0 -39.67 69.06 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.792 1.237 . . . . 0.0 111.819 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 57.7 m -59.15 -43.19 92.04 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 120.772 1.624 . . . . 0.0 111.065 175.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' B' ' 737' ' ' ILE . 10.6 t80 -56.51 -42.93 79.18 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.26 1.024 . . . . 0.0 111.907 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -76.04 -53.73 7.91 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.213 1.005 . . . . 0.0 111.602 177.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.41 63.41 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.215 1.806 . . . . 0.0 114.418 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -57.78 -38.2 75.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.943 0.897 . . . . 0.0 111.388 174.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -90.05 -28.07 19.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.606 1.562 . . . . 0.0 113.926 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.443 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 3.9 t -63.61 153.26 36.48 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.908 1.283 . . . . 0.0 113.011 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -140.98 18.35 2.29 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.046 1.338 . . . . 0.0 114.174 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' H ' ' A' ' 75' ' ' LYS . 25.6 tt0 -125.18 150.72 46.68 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.805 -1.184 . . . . 0.0 112.485 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -102.93 8.28 39.1 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.626 1.171 . . . . 0.0 112.961 -176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.531 ' H ' ' HG2' ' A' ' 73' ' ' GLU . 72.3 mmtt -117.96 3.36 12.16 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 128.28 2.632 . . . . 0.0 113.21 -177.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 t -54.36 136.36 60.7 Favored Pre-proline 0 CA--C 1.56 1.328 0 C-N-CA 126.436 1.894 . . . . 0.0 110.334 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -70.02 -24.69 28.19 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.124 2.549 . . . . 0.0 115.962 -173.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -69.19 127.15 93.09 Favored Pre-proline 0 N--CA 1.475 0.821 0 CA-C-N 119.224 0.92 . . . . 0.0 109.551 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -65.83 -37.74 26.28 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.12 1.88 . . . . 0.0 113.929 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -77.76 -27.08 50.26 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.433 ' SG ' ' NZ ' ' A' ' 85' ' ' LYS . 47.3 t -52.9 -49.14 66.51 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.777 1.171 . . . . 0.0 111.469 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.42 -56.89 15.17 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.958 1.303 . . . . 0.0 110.909 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -52.11 -43.11 63.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.741 0.816 . . . . 0.0 112.693 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' HE2' ' B' ' 746' ' ' MET . 64.1 mt -74.23 -56.44 9.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.006 0.922 . . . . 0.0 110.985 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' NZ ' ' SG ' ' A' ' 71' ' ' CYS . 9.3 ptpt -57.47 -37.47 72.93 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.436 1.471 . . . . 0.0 113.121 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -63.2 -23.97 67.67 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.073 0.851 . . . . 0.0 113.237 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -90.13 -43.71 10.28 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.204 1.401 . . . . 0.0 110.233 174.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.16 -27.4 66.39 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -55.45 -22.71 21.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.118 1.767 . . . . 0.0 115.174 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -98.99 -0.94 41.03 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.06 1.744 . . . . 0.0 113.548 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -134.93 -15.06 2.04 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.471 0.615 0 C-N-CA 126.096 1.759 . . . . 0.0 111.277 -177.096 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 706' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.524 0 N-CA-C 114.788 0.675 . . . . 0.0 114.788 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 707' ' ' SER . . . . . . . . . . . . . 26.6 m -63.79 -19.3 64.9 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.425 1.49 . . . . 0.0 114.775 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 708' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -140.62 154.92 46.63 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.911 1.684 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 709' ' ' MET . . . . . . . . . . . . . 25.4 ptp -157.56 170.86 21.45 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.144 1.377 . . . . 0.0 112.548 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 710' ' ' SER . . . . . . . . . . . . . 64.3 m -138.48 157.34 46.37 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 110.83 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 711' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -153.67 161.64 41.96 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.19 0.996 . . . . 0.0 113.562 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 712' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 48.3 35.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 127.678 2.391 . . . . 0.0 115.849 176.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 713' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -134.4 65.26 67.51 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.701 1.201 . . . . 0.0 112.649 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 714' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -75.42 179.99 5.64 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.826 3.017 . . . . 0.0 112.225 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 715' ' ' SER . . . . . . . . . . . . . 77.3 p -83.58 -27.52 29.2 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 716' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -156.91 130.76 8.26 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.609 1.964 . . . . 0.0 109.964 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 717' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.58 -120.54 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.787 1.635 . . . . 0.0 108.562 178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 718' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 59.45 20.88 9.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.054 2.142 . . . . 0.0 115.793 175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 719' ' ' THR . . . . . . . . . . . . . 71.5 p -134.48 39.87 3.02 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 125.682 1.593 . . . . 0.0 111.787 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 720' ' ' THR . . . . . . . . . . . . . 47.2 p -59.43 31.41 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 130.534 3.534 . . . . 0.0 118.234 -176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 721' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -150.1 -6.11 0.33 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 129.243 3.017 . . . . 0.0 111.853 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.8 -6.81 8.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.122 1.769 . . . . 0.0 111.694 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 723' ' ' LEU . . . . . . . . . . . . . 82.7 mt -57.57 -25.81 60.53 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.427 1.091 . . . . 0.0 110.761 171.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 724' ' ' LEU . . . . . . . . . . . . . 22.2 mt -28.79 102.93 0.17 Allowed Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 129.076 2.951 . . . . 0.0 113.514 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 725' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -78.25 -2.83 12.87 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.774 2.983 . . . . 0.0 115.084 -175.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 726' ' ' MET . . . . . . . . . . . . . 48.3 ttp -145.28 145.79 31.4 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.077 1.351 . . . . 0.0 110.981 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 727' ' ' SER . . . . . . . . . . . . . 1.2 p -78.35 164.05 58.45 Favored Pre-proline 0 N--CA 1.474 0.739 0 C-N-CA 124.758 1.223 . . . . 0.0 112.988 -177.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 728' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.0 -28.29 41.84 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.055 1.837 . . . . 0.0 112.24 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 729' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.23 -35.33 63.86 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.364 -0.835 . . . . 0.0 111.58 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 730' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -71.69 -46.89 57.38 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.398 -0.814 . . . . 0.0 109.044 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 731' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -55.29 -37.88 67.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 111.917 175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 732' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.66 -44.6 96.25 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.104 0.865 . . . . 0.0 111.704 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 733' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -70.08 -30.38 67.6 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.407 -0.808 . . . . 0.0 112.079 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 734' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.27 -50.82 59.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.984 0.811 . . . . 0.0 108.872 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 735' ' ' SER . . . . . . . . . . . . . 26.9 t -54.73 -40.54 69.37 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.26 1.424 . . . . 0.0 112.357 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 736' ' ' ARG . . . . . . . . . . . . . 31.3 ttm105 -54.61 -37.5 65.68 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.796 1.238 . . . . 0.0 113.363 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 737' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 66' ' ' TYR . 35.3 mt -90.01 -46.61 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.043 0.937 . . . . 0.0 111.832 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 738' ' ' VAL . . . . . . . . . . . . . 98.4 t -62.52 -34.15 63.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.776 1.23 . . . . 0.0 112.356 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 739' ' ' GLY . . . . . . . . . . . . . . . 53.29 23.83 19.84 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.477 1.513 . . . . 0.0 115.579 178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 740' ' ' SER . . . . . . . . . . . . . 24.2 m 51.27 26.85 3.2 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.867 2.067 . . . . 0.0 115.723 -178.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 741' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -15.36 -67.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 C-N-CA 129.076 2.95 . . . . 0.0 116.104 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 742' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -146.44 28.45 1.08 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 126.824 2.05 . . . . 0.0 109.295 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 743' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -32.52 -47.73 0.16 Allowed 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 119.772 3.249 . . . . 0.0 119.772 -169.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 744' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.4 -20.3 61.46 Favored 'General case' 0 CA--C 1.553 1.091 0 O-C-N 120.194 -1.566 . . . . 0.0 113.19 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 745' ' ' SER . . . . . . . . . . . . . 7.1 t -83.07 -10.12 58.88 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.323 1.849 . . . . 0.0 112.635 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 746' ' ' MET . . . . . 0.459 ' HE2' HG23 ' A' ' 84' ' ' ILE . 1.3 mmm -56.97 -21.97 34.45 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 120.607 -1.308 . . . . 0.0 112.853 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 747' ' ' MET . . . . . . . . . . . . . 23.9 mmt -68.16 -12.07 60.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.614 1.966 . . . . 0.0 114.064 177.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 748' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -145.21 146.02 31.56 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.426 1.09 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 749' ' ' THR . . . . . . . . . . . . . 2.9 t -138.85 12.11 2.67 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.958 1.303 . . . . 0.0 113.225 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 750' ' ' VAL . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.481 1.124 0 C-N-CA 125.499 1.52 . . . . 0.0 113.646 -179.316 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_