data_6tdd_residue ############################ # Computer software used # ############################ 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 6tdd _Structure_validation_residue.Date_analyzed 2020-08-07 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 ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 . . . . . 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' B' ' 138' ' ' LYS . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 18' ' ' TYR . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.96 149.37 77.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.564 2.843 . . . . 0.0 112.609 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 -19.25 73.71 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.957 0.789 . . . . 0.0 114.796 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 m -96.61 135.08 39.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.328 . . . . 0.0 112.108 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.52 156.02 39.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.718 2.407 . . . . 0.0 111.764 -13.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -61.14 -31.98 71.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.961 0.904 . . . . 0.0 113.022 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -153.8 156.44 32.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.506 1.922 . . . . 0.0 111.049 166.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -66.28 170.06 12.73 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.779 2.319 . . . . 0.0 111.726 168.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.39 -27.14 68.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.152 0.981 . . . . 0.0 112.381 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -59.3 149.7 28.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.449 1.5 . . . . 0.0 113.153 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t 61.38 28.76 18.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.764 1.626 . . . . 0.0 115.256 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -71.3 -14.6 62.26 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.394 -1.441 . . . . 0.0 113.066 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.23 -11.57 40.27 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.341 1.448 . . . . 0.0 116.243 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -59.06 -31.0 68.48 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.181 1.49 . . . . 0.0 112.108 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -67.11 -20.64 65.82 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.54 -39.92 51.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.157 1.383 . . . . 0.0 112.602 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -76.04 -37.52 58.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.732 0.813 . . . . 0.0 112.878 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -74.37 165.94 24.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.549 1.539 . . . . 0.0 113.27 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 C-N-CA 125.47 1.51 . . . . 0.0 114.009 177.518 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -73.67 -18.02 22.69 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.886 3.057 . . . . 0.0 114.419 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.04 -148.46 8.59 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.676 1.608 . . . . 0.0 112.119 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -66.45 -27.07 67.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.858 0.863 . . . . 0.0 113.146 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 99.2 mmm -78.85 138.54 38.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.134 . . . . 0.0 111.936 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.46 -18.83 37.26 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.53 147.24 98.07 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 124.476 1.11 . . . . 0.0 112.649 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -68.74 153.98 72.11 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.836 3.024 . . . . 0.0 112.403 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -74.09 156.03 37.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.997 1.319 . . . . 0.0 112.527 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 21.5 p 61.02 -0.96 0.28 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.354 2.662 . . . . 0.0 117.649 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -75.11 160.53 30.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.141 1.377 . . . . 0.0 112.473 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -68.84 -0.17 5.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.342 1.457 . . . . 0.0 114.591 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.71 -5.43 13.12 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.408 1.48 . . . . 0.0 115.528 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -65.28 -27.89 68.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.915 1.358 . . . . 0.0 112.885 170.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.09 -37.63 88.16 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.614 1.165 . . . . 0.0 112.497 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -64.31 -49.25 72.52 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.45 -20.11 65.45 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.27 -38.22 31.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.824 1.25 . . . . 0.0 113.074 171.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -78.06 -25.28 47.63 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.67 158.69 26.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.378 1.071 . . . . 0.0 113.544 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 C-N-CA 125.826 1.679 . . . . 0.0 113.282 175.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.872 -0.405 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -58.25 145.78 91.68 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 124.145 3.23 . . . . 0.0 114.185 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.57 36.48 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.23 0.919 . . . . 0.0 113.546 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -76.84 76.03 3.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.707 1.203 . . . . 0.0 111.022 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.8 mtm -73.46 10.42 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.208 1.803 . . . . 0.0 114.783 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.3 42.19 0.26 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.63 1.972 . . . . 0.0 113.543 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 148.97 88.21 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.956 1.302 . . . . 0.0 113.382 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.07 143.71 85.32 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 123.333 2.689 . . . . 0.0 112.274 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 t -159.29 171.85 19.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.503 1.521 . . . . 0.0 111.37 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -59.41 150.84 25.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 112.59 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 149.27 33.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.037 1.335 . . . . 0.0 112.536 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -125.41 28.99 6.14 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.444 1.898 . . . . 0.0 112.729 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.92 -12.07 20.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.045 1.307 . . . . 0.0 115.915 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -61.98 -29.02 69.96 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.832 1.316 . . . . 0.0 112.853 171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.15 -17.64 61.36 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.39 -34.36 54.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.123 0.969 . . . . 0.0 112.999 168.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.78 -33.7 60.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.95 0.9 . . . . 0.0 113.367 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.29 159.08 33.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.862 1.265 . . . . 0.0 112.924 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.419 1.485 . . . . 0.0 113.696 177.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -66.58 -15.18 46.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.362 3.375 . . . . 0.0 116.115 -174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 3.07 89.77 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.617 1.103 . . . . 0.0 115.619 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 7.7 t 53.36 53.05 12.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.988 1.715 . . . . 0.0 113.515 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.04 137.77 58.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.114 0.966 . . . . 0.0 112.073 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.63 159.22 32.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.672 1.189 . . . . 0.0 112.417 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 144.62 93.27 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.327 1.051 . . . . 0.0 112.005 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.76 159.49 53.5 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.837 3.025 . . . . 0.0 113.1 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 67.1 p -78.97 1.9 22.19 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.647 1.579 . . . . 0.0 114.509 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -61.75 149.67 39.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.762 1.225 . . . . 0.0 112.939 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 89.1 p -139.47 16.02 2.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.355 1.462 . . . . 0.0 113.926 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.13 -35.88 82.22 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.123 -0.986 . . . . 0.0 112.859 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.83 -57.7 3.06 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.726 1.631 . . . . 0.0 115.549 170.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -63.72 -28.23 69.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -62.43 -35.78 80.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.947 1.299 . . . . 0.0 113.233 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.82 -47.48 74.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.3 -30.08 65.82 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.99 -35.63 81.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 113.106 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.89 -11.99 51.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.245 . . . . 0.0 114.033 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -67.1 142.21 57.18 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.154 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.12 1.343 . . . . 0.0 113.031 178.257 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.97 1.67 8.95 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 125.117 3.878 . . . . 0.0 115.072 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.73 15.05 71.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.656 1.122 . . . . 0.0 114.901 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -150.83 152.78 34.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.221 1.809 . . . . 0.0 111.029 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.2 mmm -75.49 -23.51 56.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.826 0.851 . . . . 0.0 112.826 172.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.4 m120 59.69 -40.85 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 129.022 2.929 . . . . 0.0 116.477 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.29 159.56 84.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.534 1.934 . . . . 0.0 112.373 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.24 142.88 97.65 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.027 2.484 . . . . 0.0 112.524 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.6 t -74.47 150.76 39.74 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.505 0.722 . . . . 0.0 112.801 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -69.71 162.85 26.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t 58.31 -160.76 0.25 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.321 1.449 . . . . 0.0 113.204 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.35 -12.71 45.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.722 1.609 . . . . 0.0 114.91 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -1.99 45.01 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.36 1.457 . . . . 0.0 115.782 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -53.63 -25.41 17.61 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.488 1.644 . . . . 0.0 114.073 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -66.09 -24.83 66.78 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.66 -30.36 64.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.198 0.999 . . . . 0.0 112.406 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -88.92 -37.81 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.238 1.015 . . . . 0.0 113.197 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -80.01 -4.81 54.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 C-N-CA 125.336 1.446 . . . . 0.0 113.395 177.391 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 112.255 -0.338 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.28 -9.89 20.56 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.496 3.464 . . . . 0.0 114.819 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.79 -162.23 44.79 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.512 1.053 . . . . 0.0 113.412 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 57.0 m -122.85 143.17 50.04 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.641 1.176 . . . . 0.0 112.363 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 95.7 mmm -97.18 149.86 21.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.765 1.226 . . . . 0.0 112.153 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -71.53 149.07 46.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.085 2.154 . . . . 0.0 112.119 -6.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.74 149.91 88.25 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.211 1.404 . . . . 0.0 112.9 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.78 129.8 21.81 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.635 2.223 . . . . 0.0 111.419 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.8 t -81.7 -32.62 31.58 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 31.3 t -83.91 141.91 30.94 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -81.04 -10.31 59.71 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.339 1.456 . . . . 0.0 113.6 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -128.51 -29.1 2.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.262 1.425 . . . . 0.0 114.39 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.35 -26.51 66.32 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 119.518 1.054 . . . . 0.0 113.849 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -66.83 -29.72 69.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.179 0.991 . . . . 0.0 112.838 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -66.21 -40.6 90.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.718 0.807 . . . . 0.0 111.944 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -64.35 -47.63 78.6 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.51 -22.2 65.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.55 -40.79 61.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.631 0.772 . . . . 0.0 112.114 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.19 -19.51 64.78 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.445 1.098 . . . . 0.0 113.526 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.65 -11.6 60.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.486 1.114 . . . . 0.0 113.588 170.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.273 1.416 . . . . 0.0 114.254 178.353 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.415 -0.659 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.19 158.43 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.318 3.345 . . . . 0.0 113.98 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.69 48.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.238 0.923 . . . . 0.0 113.64 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 t -74.32 -27.46 60.72 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtt 52.08 53.75 11.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.466 1.906 . . . . 0.0 113.718 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -73.69 -10.96 60.22 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -170.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.55 146.67 98.11 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.454 1.102 . . . . 0.0 112.776 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.31 -15.39 22.61 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.654 2.903 . . . . 0.0 113.491 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -136.01 165.48 25.58 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.42 1.888 . . . . 0.0 112.141 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -143.87 -169.17 3.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.878 1.671 . . . . 0.0 112.172 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -56.11 150.74 13.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.705 1.602 . . . . 0.0 114.093 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 62.95 10.82 4.63 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.886 2.074 . . . . 0.0 115.321 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.05 60.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.427 1.489 . . . . 0.0 115.248 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.351 1.46 . . . . 0.0 113.212 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.19 -29.91 68.87 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.87 -37.56 81.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.207 1.003 . . . . 0.0 112.293 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.04 -26.53 60.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.172 0.989 . . . . 0.0 113.197 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -72.82 -21.82 60.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.132 0.973 . . . . 0.0 112.882 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 C-N-CA 125.792 1.663 . . . . 0.0 113.852 177.102 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.15 158.63 56.65 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 123.871 3.047 . . . . 0.0 113.065 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.58 14.6 0.09 OUTLIER Glycine 0 CA--C 1.534 1.232 0 O-C-N 118.955 -2.341 . . . . 0.0 115.252 -0.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.6 m -66.49 153.46 42.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 113.145 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -150.19 163.96 36.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.206 1.403 . . . . 0.0 112.053 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -128.33 169.79 13.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.602 1.561 . . . . 0.0 112.174 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -136.07 137.97 26.3 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.321 1.848 . . . . 0.0 110.945 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.67 -177.59 0.44 Allowed 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 124.0 3.133 . . . . 0.0 114.281 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 43.0 m -51.75 122.83 8.86 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.127 1.371 . . . . 0.0 111.684 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.2 p -77.46 -32.3 54.33 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -166.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t 51.1 -157.24 0.11 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.788 1.235 . . . . 0.0 112.248 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -84.98 -9.06 58.45 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.75 -1.219 . . . . 0.0 113.291 165.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.65 -5.62 64.53 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.597 1.57 . . . . 0.0 115.331 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -58.01 -30.89 66.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 113.073 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.47 -37.41 87.18 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.759 1.224 . . . . 0.0 113.025 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -63.34 -50.9 68.15 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.91 -21.53 64.22 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.86 -35.85 43.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.575 1.15 . . . . 0.0 112.899 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.94 -34.88 69.39 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.862 0.865 . . . . 0.0 112.693 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -73.49 157.84 36.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.941 1.296 . . . . 0.0 112.832 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 CA-C-O 118.356 -1.246 . . . . 0.0 113.336 178.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.764 -0.465 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.97 152.97 67.18 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.354 3.369 . . . . 0.0 113.784 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.53 -159.1 50.7 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.453 1.025 . . . . 0.0 114.424 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.7 p -153.26 159.54 42.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.102 1.361 . . . . 0.0 111.828 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -127.08 16.57 7.27 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.469 1.508 . . . . 0.0 113.255 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.57 -49.16 67.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.101 0.96 . . . . 0.0 111.982 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -76.54 153.24 83.63 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 124.723 1.209 . . . . 0.0 112.031 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.17 143.3 93.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.193 2.595 . . . . 0.0 112.822 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -100.46 12.75 36.55 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.505 1.522 . . . . 0.0 113.472 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m 58.51 27.63 15.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.011 1.724 . . . . 0.0 114.728 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -153.99 143.09 21.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.944 1.698 . . . . 0.0 110.606 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.05 -13.08 61.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -3.38 42.47 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.976 1.274 . . . . 0.0 115.605 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -58.56 -30.33 67.06 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.151 1.476 . . . . 0.0 113.332 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.69 -21.04 61.12 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.17 -41.2 35.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.48 1.112 . . . . 0.0 112.016 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.37 -39.79 52.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.325 1.05 . . . . 0.0 113.382 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.85 155.46 30.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.238 1.015 . . . . 0.0 112.873 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.35 1.452 . . . . 0.0 113.26 -179.351 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.391 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.26 134.67 46.51 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.846 2.364 . . . . 0.0 111.298 176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.45 -4.38 50.03 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.067 1.318 . . . . 0.0 115.822 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -79.6 -8.66 59.33 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.273 1.536 . . . . 0.0 113.832 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -62.7 140.4 58.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.07 1.348 . . . . 0.0 112.885 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.76 149.96 49.27 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.742 1.217 . . . . 0.0 112.764 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.53 147.29 96.69 Favored Pre-proline 0 N--CA 1.477 0.917 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.548 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.98 150.57 83.36 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.179 2.586 . . . . 0.0 113.633 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -72.92 152.24 41.52 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.534 1.134 . . . . 0.0 111.966 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 m -71.28 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.273 1.029 . . . . 0.0 112.933 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -71.61 166.95 20.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.5 1.52 . . . . 0.0 112.773 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.77 -8.58 11.01 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 114.09 165.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.55 -16.57 22.78 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.18 1.371 . . . . 0.0 115.806 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.47 -30.0 70.32 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.376 1.588 . . . . 0.0 112.491 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.14 -35.78 78.64 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.645 1.178 . . . . 0.0 112.362 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -63.17 -48.91 76.38 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.03 -24.5 66.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.065 0.848 . . . . 0.0 113.268 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.71 -37.65 55.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.719 1.208 . . . . 0.0 112.722 172.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.54 -27.86 68.08 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.021 -1.05 . . . . 0.0 112.583 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -73.61 -11.03 60.29 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.001 1.321 . . . . 0.0 114.464 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 118.263 -1.298 . . . . 0.0 113.963 -179.249 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 119.228 -0.762 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.98 154.57 70.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.753 2.968 . . . . 0.0 112.989 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.86 1.02 89.3 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.819 1.199 . . . . 0.0 115.339 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -141.61 154.63 45.52 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.396 1.878 . . . . 0.0 111.148 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.14 24.05 9.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.112 2.965 . . . . 0.0 113.239 2.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.65 153.7 23.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 113.364 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -146.99 155.48 47.42 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.241 1.816 . . . . 0.0 111.869 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -64.96 151.65 85.07 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.263 2.642 . . . . 0.0 112.409 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -80.97 -12.13 59.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.358 1.463 . . . . 0.0 114.183 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m 56.91 27.91 13.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.822 1.649 . . . . 0.0 114.203 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -64.22 -21.88 66.74 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.339 1.056 . . . . 0.0 113.212 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -82.03 14.9 2.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.953 1.701 . . . . 0.0 114.047 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.34 -13.74 30.67 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.732 1.158 . . . . 0.0 115.177 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -57.07 -26.75 60.91 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.188 1.395 . . . . 0.0 112.891 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.402 ' CE1' ' HE3' ' B' ' 138' ' ' LYS . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.5 -21.99 64.56 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.45 -40.67 29.32 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.581 1.153 . . . . 0.0 111.895 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -67.92 -32.96 73.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.545 1.066 . . . . 0.0 112.526 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.99 -6.0 46.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.142 1.377 . . . . 0.0 114.255 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.916 1.722 . . . . 0.0 113.178 178.636 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 159.33 54.04 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.156 3.237 . . . . 0.0 112.899 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.33 -178.26 31.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.453 1.025 . . . . 0.0 113.941 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t -63.48 130.27 43.69 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.646 -0.914 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 87.9 mtp -94.68 -7.67 40.05 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -168.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -153.83 159.97 42.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.999 1.32 . . . . 0.0 111.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' B' ' 114' ' ' TRP . 64.8 mttm -66.77 153.98 92.72 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.982 1.313 . . . . 0.0 112.518 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.61 -12.23 26.71 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.729 2.953 . . . . 0.0 114.775 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -146.94 150.55 35.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.095 1.358 . . . . 0.0 112.097 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 36.2 t -81.65 119.45 23.83 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.311 1.044 . . . . 0.0 111.738 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -161.75 147.89 13.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.766 1.627 . . . . 0.0 110.541 172.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.17 -18.16 27.69 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 170.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.6 -4.66 89.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.57 1.557 . . . . 0.0 116.026 -165.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.432 ' CG ' ' HE3' ' B' ' 107' ' ' LYS . 61.9 p-90 -59.42 -24.91 63.9 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.564 1.182 . . . . 0.0 113.57 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -61.76 -36.95 82.5 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.381 1.473 . . . . 0.0 113.254 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.402 ' HE3' ' CE1' ' A' ' 18' ' ' TYR . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -63.09 -49.71 73.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.08 -25.81 66.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.98 -39.02 63.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.802 0.841 . . . . 0.0 112.394 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.64 -28.61 68.61 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.514 1.052 . . . . 0.0 112.96 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.31 -22.17 60.4 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.494 1.118 . . . . 0.0 113.457 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 C-N-CA 125.651 1.596 . . . . 0.0 113.953 -176.794 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.69 155.55 53.13 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.373 3.382 . . . . 0.0 114.762 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.33 168.79 42.81 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.826 1.203 . . . . 0.0 115.03 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -63.31 136.44 57.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.381 1.073 . . . . 0.0 112.862 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtp 58.69 4.75 0.4 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.156 2.182 . . . . 0.0 116.526 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.97 7.73 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.621 1.169 . . . . 0.0 113.944 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.44 69.88 1.64 Allowed Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 127.008 2.123 . . . . 0.0 113.134 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 -14.64 32.46 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.78 2.987 . . . . 0.0 114.084 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -135.23 151.76 50.91 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.177 1.791 . . . . 0.0 111.889 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -159.66 168.72 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.756 1.222 . . . . 0.0 113.396 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.4 p 48.44 -119.76 1.19 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.568 2.347 . . . . 0.0 115.19 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.97 53.19 1.36 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.578 1.951 . . . . 0.0 113.775 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.86 49.27 Favored Glycine 0 CA--C 1.538 1.512 0 O-C-N 120.799 -1.188 . . . . 0.0 115.122 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 -61.69 -30.23 70.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.28 1.04 . . . . 0.0 113.131 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.1 -26.0 66.49 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -42.54 57.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 112.367 174.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.16 -31.72 69.34 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.345 -0.847 . . . . 0.0 112.595 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 -4.02 45.03 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.913 1.285 . . . . 0.0 113.928 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.657 1.598 . . . . 0.0 114.062 178.383 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 CA-C-O 119.152 -0.805 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.25 65.5 7.91 Favored 'Trans proline' 0 CA--C 1.547 1.156 1 C-N-CA 125.318 4.012 . . . . 0.0 112.45 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.8 -173.93 49.32 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.686 1.136 . . . . 0.0 114.262 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m 58.79 26.39 14.68 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.21 1.804 . . . . 0.0 115.649 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -59.05 -29.68 67.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.343 1.057 . . . . 0.0 113.477 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.19 -27.61 65.65 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.579 1.151 . . . . 0.0 113.717 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -151.88 71.55 7.97 Favored Pre-proline 0 N--CA 1.481 1.075 0 C-N-CA 125.332 1.453 . . . . 0.0 111.261 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.73 134.89 33.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.179 2.586 . . . . 0.0 111.729 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.2 t -75.91 -10.56 59.52 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -78.36 -5.89 53.55 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -64.09 136.92 57.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -91.28 6.55 44.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 0.0 112.905 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.04 50.61 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.809 1.195 . . . . 0.0 115.228 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -60.18 -27.42 67.12 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.352 1.061 . . . . 0.0 112.875 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -65.21 -39.61 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.758 1.223 . . . . 0.0 113.1 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -63.94 -49.01 74.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -69.44 -25.49 64.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.63 -39.69 70.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.215 1.006 . . . . 0.0 112.227 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.96 -29.92 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.152 -0.968 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -75.59 -8.7 57.44 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.918 1.287 . . . . 0.0 114.133 171.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.369 0 C-N-CA 125.731 1.634 . . . . 0.0 114.919 -175.407 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.28 156.3 65.72 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.879 3.053 . . . . 0.0 112.929 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.3 146.72 34.94 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.715 1.15 . . . . 0.0 113.144 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -157.63 161.92 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.942 1.297 . . . . 0.0 112.502 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.4 mtp 46.29 55.78 6.98 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.643 1.977 . . . . 0.0 115.368 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -129.71 18.29 5.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.487 3.115 . . . . 0.0 112.282 5.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.99 144.55 97.2 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.629 1.171 . . . . 0.0 111.949 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.95 160.67 42.73 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.644 2.896 . . . . 0.0 112.829 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 m -66.56 144.47 56.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.238 1.015 . . . . 0.0 110.901 168.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -132.17 111.92 11.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.768 1.227 . . . . 0.0 111.452 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -155.43 10.38 0.31 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.435 1.494 . . . . 0.0 113.802 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 59.16 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.842 2.457 . . . . 0.0 113.811 -165.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.52 -46.48 1.09 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 126.635 2.064 . . . . 0.0 115.794 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -64.35 -27.37 68.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.829 1.252 . . . . 0.0 113.663 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.51 -26.87 63.79 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -36.95 82.72 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.0 0.818 . . . . 0.0 112.043 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -68.84 -23.25 64.22 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.83 -13.0 60.27 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 171.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.882 1.706 . . . . 0.0 113.44 179.079 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.29 -28.13 23.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.361 2.707 . . . . 0.0 114.089 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.17 162.22 19.69 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.912 1.244 . . . . 0.0 113.42 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -84.08 6.32 22.69 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.081 1.352 . . . . 0.0 114.288 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.6 ptm -63.32 158.19 21.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.266 1.426 . . . . 0.0 114.421 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -145.75 158.62 43.84 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.931 1.693 . . . . 0.0 111.077 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.58 143.91 97.85 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.818 1.247 . . . . 0.0 113.129 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.54 154.91 55.26 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.801 3.001 . . . . 0.0 112.315 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -159.6 155.96 27.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.362 1.465 . . . . 0.0 111.383 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 35.5 t -155.84 140.67 17.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -76.96 -17.93 58.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.755 1.222 . . . . 0.0 113.77 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -132.3 -179.99 5.77 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.557 1.943 . . . . 0.0 112.782 -168.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.2 2.16 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 125.391 1.472 . . . . 0.0 114.182 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -61.97 -28.84 69.84 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.291 1.036 . . . . 0.0 112.387 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -63.97 -41.56 97.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.099 1.76 . . . . 0.0 112.308 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -67.08 -40.62 87.01 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.68 -16.95 60.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.48 -41.83 10.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.596 1.158 . . . . 0.0 113.591 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -144.01 166.35 25.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.783 1.633 . . . . 0.0 112.59 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -138.87 153.06 48.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.305 1.842 . . . . 0.0 111.726 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 C-N-CA 124.895 1.236 . . . . 0.0 113.203 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 CA-C-O 119.67 -0.517 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -60.48 162.11 18.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 124.215 3.277 . . . . 0.0 114.181 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.37 179.55 37.61 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.675 1.131 . . . . 0.0 113.696 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 154.21 37.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.938 0.895 . . . . 0.0 113.159 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.5 ttm -148.42 145.64 28.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.812 1.645 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -146.3 169.33 19.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.069 1.748 . . . . 0.0 110.433 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -56.85 139.36 77.64 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.47 1.108 . . . . 0.0 113.603 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -63.33 155.34 62.58 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.178 2.586 . . . . 0.0 113.904 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -141.77 124.51 16.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.428 1.491 . . . . 0.0 110.16 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -73.59 152.6 40.52 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.725 1.21 . . . . 0.0 112.974 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -154.53 160.3 41.45 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.488 1.115 . . . . 0.0 112.511 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -84.81 29.81 0.6 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.58 1.152 . . . . 0.0 113.262 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.06 -19.8 39.61 Favored Glycine 0 CA--C 1.539 1.576 0 O-C-N 120.537 -1.352 . . . . 0.0 115.838 -172.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -63.47 -26.9 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.521 1.16 . . . . 0.0 112.873 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.58 -24.38 62.75 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.11 -41.31 64.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 112.082 171.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.98 -32.01 68.73 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.277 -0.89 . . . . 0.0 112.918 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -78.32 -4.3 47.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.168 1.387 . . . . 0.0 113.946 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 C-N-CA 125.522 1.534 . . . . 0.0 113.738 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -59.23 154.51 45.84 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.248 3.299 . . . . 0.0 114.216 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.82 41.59 1.72 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.0 1.762 . . . . 0.0 114.647 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 28.6 t -70.1 -24.25 63.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.486 1.515 . . . . 0.0 113.879 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 54.5 tpp -149.44 142.13 24.55 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.85 1.66 . . . . 0.0 110.257 -172.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.1 166.83 22.31 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.058 2.943 . . . . 0.0 112.506 -7.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.99 151.45 73.81 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.769 1.627 . . . . 0.0 111.968 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -62.21 168.77 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.812 3.008 . . . . 0.0 113.782 168.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -64.59 148.59 50.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.422 1.089 . . . . 0.0 113.103 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -80.62 -3.77 51.69 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.402 1.481 . . . . 0.0 113.488 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -59.18 140.32 56.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.453 1.101 . . . . 0.0 112.845 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 57.07 18.52 4.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.606 1.962 . . . . 0.0 114.743 -173.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.46 -0.27 57.51 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.243 1.401 . . . . 0.0 115.756 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -59.36 -27.55 66.05 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.962 1.381 . . . . 0.0 113.285 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.69 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.155 1.382 . . . . 0.0 112.846 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -63.54 -49.32 73.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -66.39 -29.79 70.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.295 0.952 . . . . 0.0 113.228 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.43 -39.54 67.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.334 1.053 . . . . 0.0 112.396 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.19 -29.75 69.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.418 -0.801 . . . . 0.0 112.594 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.44 -27.09 63.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 118.27 -1.294 . . . . 0.0 113.942 -178.817 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.08 -31.28 46.12 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.625 2.883 . . . . 0.0 115.003 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.83 165.31 52.34 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.985 1.279 . . . . 0.0 114.336 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -152.87 143.18 22.51 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.841 1.256 . . . . 0.0 111.804 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 57.3 ttm -73.23 137.25 44.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.526 1.13 . . . . 0.0 111.853 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -76.34 -24.74 54.27 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -68.96 144.73 96.04 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.687 1.195 . . . . 0.0 112.19 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.65 -28.3 17.4 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.977 2.451 . . . . 0.0 113.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m 63.21 -52.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.13 2.572 . . . . 0.0 115.133 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -81.47 -4.01 54.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.908 1.683 . . . . 0.0 114.175 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m 58.72 27.61 16.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.96 1.704 . . . . 0.0 114.351 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -79.68 37.2 0.34 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.286 1.834 . . . . 0.0 113.459 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.3 -9.96 45.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.551 1.548 . . . . 0.0 115.259 -177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.21 -28.86 65.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.621 1.21 . . . . 0.0 112.377 171.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -79.79 -35.09 39.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.1 -40.56 71.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -85.29 -5.47 59.31 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.697 1.199 . . . . 0.0 114.191 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.3 144.23 50.99 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.966 1.306 . . . . 0.0 113.564 -174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 117.903 -1.498 . . . . 0.0 113.4 -178.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.29 149.24 90.31 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.177 3.251 . . . . 0.0 113.899 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.4 -13.55 83.45 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.127 1.346 . . . . 0.0 114.919 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 26.0 t -155.38 160.35 40.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.429 1.891 . . . . 0.0 110.547 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.0 ptm -146.29 142.23 28.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.492 1.117 . . . . 0.0 113.315 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -160.14 151.58 19.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.673 2.389 . . . . 0.0 109.903 171.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -79.76 123.8 83.74 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-O 117.898 -1.049 . . . . 0.0 111.222 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -67.52 163.86 33.23 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.768 2.979 . . . . 0.0 114.296 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.0 t -155.43 146.82 22.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.048 1.339 . . . . 0.0 111.605 168.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -160.47 147.29 15.66 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.991 1.316 . . . . 0.0 112.192 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -107.51 -2.82 20.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.839 1.656 . . . . 0.0 112.781 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -126.32 -7.81 6.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.918 1.687 . . . . 0.0 114.882 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.31 -21.56 62.22 Favored Glycine 0 N--CA 1.476 1.332 0 O-C-N 120.967 -1.083 . . . . 0.0 114.893 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -68.47 -24.68 64.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.934 1.294 . . . . 0.0 113.269 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.58 -35.64 79.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.138 0.975 . . . . 0.0 113.184 -172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -60.71 -48.3 82.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.32 -23.62 61.97 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.164 0.893 . . . . 0.0 112.986 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.46 -41.94 21.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.384 1.073 . . . . 0.0 113.459 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.41 -30.66 20.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.15 139.9 50.39 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.986 0.812 . . . . 0.0 112.272 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.456 1.503 . . . . 0.0 112.798 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 CA-C-O 118.457 -1.19 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -66.79 100.21 0.49 Allowed 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 123.664 2.909 . . . . 0.0 111.209 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.96 -140.61 46.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.49 0.566 . . . . 0.0 112.033 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.5 m -69.64 -19.78 63.61 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtt -85.43 161.65 19.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.472 1.509 . . . . 0.0 113.29 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -95.83 152.92 18.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.137 0.975 . . . . 0.0 110.964 162.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.04 137.73 92.19 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.644 1.178 . . . . 0.0 111.195 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.71 -27.95 31.34 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.478 2.119 . . . . 0.0 113.816 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -94.45 144.08 25.86 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.279 1.431 . . . . 0.0 111.869 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.1 p -157.11 156.08 32.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.376 1.07 . . . . 0.0 112.386 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.3 p -161.27 172.58 16.39 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.592 1.557 . . . . 0.0 111.655 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -66.13 -4.75 8.08 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.823 1.249 . . . . 0.0 114.248 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.78 -18.92 41.15 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.142 1.353 . . . . 0.0 115.092 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -59.1 -31.03 68.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.686 1.243 . . . . 0.0 112.648 172.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -77.7 -37.99 48.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.8 -41.21 19.41 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.51 -19.47 25.01 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -170.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -74.48 149.34 40.36 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.532 -0.73 . . . . 0.0 112.155 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.349 1.452 . . . . 0.0 112.722 179.687 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.79 160.73 48.62 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.966 3.111 . . . . 0.0 113.213 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.36 -160.1 15.08 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.608 1.099 . . . . 0.0 113.916 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 99.2 p -62.73 150.02 42.3 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.969 0.908 . . . . 0.0 112.792 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -71.24 -27.84 63.75 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -155.57 157.2 36.43 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.232 1.413 . . . . 0.0 111.687 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -65.09 156.57 80.35 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 111.857 173.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.56 141.97 98.11 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.465 2.776 . . . . 0.0 114.263 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 99.8 m -89.8 137.5 32.28 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.654 1.182 . . . . 0.0 110.252 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 73.3 m -86.65 155.2 20.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 128.593 2.757 . . . . 0.0 112.509 -7.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -65.41 -20.51 66.41 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -77.01 3.83 11.43 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.009 1.324 . . . . 0.0 114.075 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.87 -6.9 10.32 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.663 1.602 . . . . 0.0 115.967 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -58.11 -29.31 65.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.594 1.197 . . . . 0.0 112.527 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.11 -37.23 85.23 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.594 1.158 . . . . 0.0 112.844 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.39 -52.49 63.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.96 -29.66 69.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.4 1.0 . . . . 0.0 113.037 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.77 -33.7 76.2 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.289 -0.882 . . . . 0.0 112.799 173.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -77.8 -34.05 52.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.198 0.908 . . . . 0.0 112.948 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.74 -27.09 61.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.385 1.074 . . . . 0.0 113.782 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.342 0 C-N-CA 125.685 1.612 . . . . 0.0 114.359 -178.756 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.55 155.83 67.65 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.814 3.01 . . . . 0.0 112.732 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 178.91 34.45 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.828 1.204 . . . . 0.0 114.99 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -145.02 147.54 32.74 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.434 1.493 . . . . 0.0 111.977 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.7 mtt 60.41 178.23 0.1 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.814 2.046 . . . . 0.0 114.448 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -73.5 -10.36 59.64 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.5 123.63 85.0 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.699 1.2 . . . . 0.0 112.386 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.51 175.45 6.98 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.821 3.014 . . . . 0.0 113.293 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -73.42 38.04 0.09 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.585 1.554 . . . . 0.0 113.91 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.7 t -154.88 154.34 32.54 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.556 1.542 . . . . 0.0 112.599 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -81.58 -8.63 59.74 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.561 1.544 . . . . 0.0 114.301 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -145.88 -174.49 4.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.28 1.432 . . . . 0.0 111.808 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.01 -38.8 2.0 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.295 1.426 . . . . 0.0 113.537 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -60.95 -31.07 70.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.139 0.976 . . . . 0.0 112.2 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.83 -21.41 59.3 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.4 -42.63 16.78 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.273 1.029 . . . . 0.0 112.745 174.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.48 -23.21 53.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -172.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -72.34 -11.49 60.72 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.578 1.561 . . . . 0.0 114.545 176.685 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 CA-C-O 120.068 -0.296 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.5 153.59 65.4 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.052 3.168 . . . . 0.0 112.469 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.61 -16.3 71.19 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.093 0.854 . . . . 0.0 114.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 81.2 p -80.66 163.34 23.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.203 1.401 . . . . 0.0 112.88 176.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -150.08 161.58 42.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.998 1.719 . . . . 0.0 111.545 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -149.05 148.18 29.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.202 1.401 . . . . 0.0 111.564 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.27 131.62 77.78 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 124.892 1.277 . . . . 0.0 111.779 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.72 80.81 2.95 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.64 2.893 . . . . 0.0 110.578 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 58.6 p -72.45 -20.61 61.37 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -74.92 144.86 43.08 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.462 1.105 . . . . 0.0 113.368 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 84.9 p -149.91 132.29 15.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.793 1.637 . . . . 0.0 110.238 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.07 23.24 1.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.317 1.847 . . . . 0.0 114.826 -169.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.09 -20.91 60.93 Favored Glycine 0 N--CA 1.475 1.269 0 O-C-N 120.536 -1.352 . . . . 0.0 114.698 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -60.29 -32.13 70.91 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.497 -1.002 . . . . 0.0 112.179 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.77 -44.48 77.35 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 111.821 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -56.67 -42.7 79.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -85.49 -33.57 21.8 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 tp -81.23 -33.36 32.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -171.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -100.19 -13.33 18.96 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.75 155.93 38.15 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.206 0.912 . . . . 0.0 113.068 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.146 0 C-N-CA 125.781 1.658 . . . . 0.0 113.328 177.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.175 -0.792 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.41 154.84 44.72 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.129 3.22 . . . . 0.0 114.246 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.5 -143.88 4.85 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.946 1.26 . . . . 0.0 113.442 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -74.51 28.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.683 1.993 . . . . 0.0 113.993 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.3 ptp -149.63 162.99 39.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.823 2.049 . . . . 0.0 111.859 -173.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -63.94 152.45 39.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.938 0.895 . . . . 0.0 112.507 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -62.16 134.72 94.66 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.609 1.164 . . . . 0.0 111.598 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.92 177.77 0.94 Allowed 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.99 3.127 . . . . 0.0 113.807 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.4 p -69.68 -11.98 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -72.23 57.45 0.36 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.289 2.236 . . . . 0.0 113.162 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -67.32 -16.49 64.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.42 -4.05 10.11 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -171.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -22.37 46.89 Favored Glycine 0 CA--C 1.54 1.633 0 CA-C-N 119.682 1.128 . . . . 0.0 115.46 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -65.44 -27.86 68.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.808 1.304 . . . . 0.0 113.263 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -72.8 -21.84 60.92 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.84 -36.13 57.05 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.714 0.806 . . . . 0.0 112.591 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -69.29 -28.46 66.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -78.88 152.25 31.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.518 1.127 . . . . 0.0 112.097 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.431 0 C-N-CA 125.363 1.459 . . . . 0.0 113.188 -176.198 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.84 -15.44 23.82 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.163 3.242 . . . . 0.0 114.954 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.3 -124.68 11.27 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.029 0.832 . . . . 0.0 112.058 -174.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 68.8 m -136.31 152.12 50.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.701 1.601 . . . . 0.0 111.645 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -62.09 137.94 58.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.828 0.851 . . . . 0.0 112.314 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.64 147.66 52.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.43 134.29 95.94 Favored Pre-proline 0 N--CA 1.476 0.841 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 168.41 23.34 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.272 3.315 . . . . 0.0 111.775 172.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -153.35 154.47 34.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.681 1.192 . . . . 0.0 111.987 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.8 t 61.5 6.36 1.46 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.813 2.045 . . . . 0.0 116.311 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -156.92 152.69 27.04 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.13 1.372 . . . . 0.0 112.828 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.47 -0.47 37.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.308 1.443 . . . . 0.0 113.866 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.56 -13.17 58.21 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.545 1.069 . . . . 0.0 115.103 -174.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -59.27 -28.33 66.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.486 1.114 . . . . 0.0 112.595 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.64 -38.8 92.47 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.731 1.212 . . . . 0.0 112.669 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -63.03 -50.23 71.5 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.02 -28.55 68.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.619 1.1 . . . . 0.0 113.259 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.84 -37.38 76.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.306 -0.871 . . . . 0.0 111.974 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.67 -29.75 64.94 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.289 -0.882 . . . . 0.0 112.661 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.09 -17.8 61.97 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 118.365 -1.242 . . . . 0.0 113.794 -179.215 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.0 147.98 81.01 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.107 3.205 . . . . 0.0 112.804 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.15 -10.12 81.0 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.58 1.086 . . . . 0.0 115.192 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -68.6 132.23 46.57 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.496 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 ptp -85.03 160.41 20.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.979 1.312 . . . . 0.0 113.181 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -76.22 65.91 2.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.306 1.442 . . . . 0.0 111.018 170.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.61 125.5 84.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 112.382 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -83.81 67.69 7.03 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 124.421 3.414 . . . . 0.0 112.494 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -134.93 151.4 50.83 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.869 1.268 . . . . 0.0 113.003 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -154.65 151.18 28.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.713 1.605 . . . . 0.0 112.107 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -76.81 -9.73 58.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.535 1.534 . . . . 0.0 113.768 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -121.49 177.98 4.99 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.49 1.916 . . . . 0.0 112.552 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.85 -39.16 2.95 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.941 1.734 . . . . 0.0 114.32 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -64.71 -25.54 67.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.583 1.153 . . . . 0.0 113.109 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -66.42 -27.72 68.06 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.0 -38.61 66.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.159 0.983 . . . . 0.0 112.839 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -71.23 -30.03 65.84 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.838 0.745 . . . . 0.0 112.42 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.9 -37.0 72.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.926 0.89 . . . . 0.0 113.381 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.354 0 C-N-CA 125.991 1.758 . . . . 0.0 114.166 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.22 130.72 27.9 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.477 2.784 . . . . 0.0 111.88 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.68 0.19 58.29 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.678 1.132 . . . . 0.0 115.896 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 16.4 m -73.97 -32.92 63.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.078 1.439 . . . . 0.0 113.486 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 17.0 tpt -82.53 146.01 29.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.653 1.181 . . . . 0.0 112.216 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.63 150.03 49.63 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.962 1.305 . . . . 0.0 112.902 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tttm 52.42 68.51 3.05 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 126.974 2.11 . . . . 0.0 113.866 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.06 -15.8 51.31 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.558 2.172 . . . . 0.0 114.297 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 63.3 p -65.4 -14.53 61.09 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.768 1.227 . . . . 0.0 113.554 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 93.9 p -75.02 -3.88 35.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.333 1.453 . . . . 0.0 114.693 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -59.43 150.61 26.07 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.985 1.314 . . . . 0.0 114.269 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -80.44 -166.39 1.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.833 1.653 . . . . 0.0 112.67 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.54 -41.47 2.15 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.4 1.952 . . . . 0.0 113.303 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -65.07 -28.42 69.45 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.983 0.913 . . . . 0.0 112.504 172.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.36 -39.88 95.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.135 1.774 . . . . 0.0 112.52 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -63.61 -50.07 70.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.42 -16.6 60.33 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.98 -35.75 42.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.483 1.113 . . . . 0.0 112.434 167.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.49 -36.82 60.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.298 -0.877 . . . . 0.0 112.937 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -69.31 144.44 53.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.239 1.016 . . . . 0.0 112.441 173.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 C-N-CA 125.736 1.636 . . . . 0.0 113.463 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.401 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.41 157.54 59.85 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.679 2.919 . . . . 0.0 113.12 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.63 -153.67 12.53 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.451 1.5 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -63.0 145.18 55.99 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.657 0.783 . . . . 0.0 112.347 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 90.2 mtp -74.22 -9.01 58.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 113.324 170.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 59.69 -174.3 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.325 2.25 . . . . 0.0 114.037 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -65.29 156.67 80.75 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.263 1.425 . . . . 0.0 112.321 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -60.76 -20.05 64.09 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.593 2.862 . . . . 0.0 115.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.3 m -78.81 84.46 4.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.238 1.015 . . . . 0.0 110.01 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -129.64 0.82 4.95 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.548 1.539 . . . . 0.0 114.253 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t 55.92 -152.76 0.36 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.986 1.714 . . . . 0.0 113.188 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -67.01 -6.31 16.48 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.76 1.624 . . . . 0.0 114.672 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.0 -5.24 52.11 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.837 1.684 . . . . 0.0 115.464 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -54.88 -28.51 50.85 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.83 1.315 . . . . 0.0 113.435 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.17 -30.57 65.11 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.91 -33.34 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.928 -1.107 . . . . 0.0 112.953 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.77 -12.42 60.7 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -66.96 147.31 53.4 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.232 0.924 . . . . 0.0 113.349 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 C-N-CA 125.505 1.526 . . . . 0.0 113.979 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.385 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.93 167.94 24.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.853 3.036 . . . . 0.0 113.377 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.49 88.09 1.11 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.684 1.611 . . . . 0.0 113.194 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.5 m -148.9 140.42 23.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.672 1.589 . . . . 0.0 111.148 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -154.23 121.83 5.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.809 1.243 . . . . 0.0 110.651 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -101.79 120.98 41.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.785 1.234 . . . . 0.0 111.727 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -76.67 154.89 83.51 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 124.174 0.99 . . . . 0.0 110.613 159.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.5 148.43 92.53 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.769 2.313 . . . . 0.0 112.094 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 82.5 p -123.08 23.06 9.37 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.022 1.329 . . . . 0.0 113.561 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.6 p -55.49 135.29 50.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.175 1.39 . . . . 0.0 113.799 -172.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.3 m 54.77 19.34 2.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.594 1.957 . . . . 0.0 115.5 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 58.12 8.5 0.79 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.025 2.13 . . . . 0.0 115.232 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -12.01 81.6 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.133 -0.979 . . . . 0.0 114.436 -174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -57.0 -30.95 64.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.839 1.656 . . . . 0.0 114.095 -176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -64.6 -31.27 72.41 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.401 1.081 . . . . 0.0 113.701 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.88 -52.4 64.28 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.14 -26.01 67.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.041 1.291 . . . . 0.0 113.407 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.53 -35.42 70.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.396 1.079 . . . . 0.0 112.843 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.71 -25.49 24.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.35 145.18 54.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.123 0.969 . . . . 0.0 113.201 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 125.927 1.727 . . . . 0.0 113.462 -179.624 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 CA-C-O 118.899 -0.945 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.55 162.45 40.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.084 3.189 . . . . 0.0 113.18 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.25 -0.71 62.21 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.898 1.237 . . . . 0.0 115.545 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t -147.5 148.18 30.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 110.909 177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.8 -16.03 61.17 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 56.99 -167.66 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.05 1.74 . . . . 0.0 113.026 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -67.02 145.48 98.89 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.129 0.972 . . . . 0.0 111.776 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.47 145.68 71.81 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.585 2.857 . . . . 0.0 112.646 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -157.46 157.34 33.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.016 1.327 . . . . 0.0 111.634 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 m 58.72 -174.03 0.09 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.157 1.783 . . . . 0.0 114.572 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 59.1 25.93 14.51 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.681 1.593 . . . . 0.0 114.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.35 30.44 0.41 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.134 2.173 . . . . 0.0 113.465 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 7.54 10.86 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.342 1.925 . . . . 0.0 117.082 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -57.09 -24.79 56.53 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.614 1.207 . . . . 0.0 112.908 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -72.51 -17.78 61.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mp -79.9 -39.82 29.59 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.598 1.159 . . . . 0.0 112.67 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -74.44 -39.02 62.83 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.804 0.842 . . . . 0.0 113.211 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -76.64 150.7 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.596 1.158 . . . . 0.0 112.775 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 C-N-CA 125.035 1.302 . . . . 0.0 112.833 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -68.2 160.07 50.45 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.241 3.294 . . . . 0.0 112.926 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.43 -156.78 13.79 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.105 1.336 . . . . 0.0 114.209 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.0 t -62.68 149.04 44.68 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.429 1.092 . . . . 0.0 112.401 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 44.0 tpp -64.12 129.5 40.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.518 1.127 . . . . 0.0 112.538 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.78 -25.54 53.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.308 1.043 . . . . 0.0 113.52 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.59 144.95 95.64 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 124.788 1.235 . . . . 0.0 111.984 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.09 148.35 75.19 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.302 2.668 . . . . 0.0 113.256 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 38.7 p -137.42 117.8 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.819 1.648 . . . . 0.0 109.484 171.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 14.5 m 58.25 10.37 1.26 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -73.4 154.07 40.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.144 1.377 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 60.41 -0.69 0.25 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.935 2.094 . . . . 0.0 115.736 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.5 -51.75 1.47 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 126.791 2.138 . . . . 0.0 114.644 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -67.73 -27.59 66.93 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.688 1.195 . . . . 0.0 113.61 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.57 -37.12 86.47 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.441 1.096 . . . . 0.0 112.891 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.58 -41.55 81.36 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.25 -43.31 13.06 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.65 -39.51 70.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -84.4 -21.2 30.89 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.075 0.852 . . . . 0.0 113.032 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.41 -27.22 56.2 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.406 1.083 . . . . 0.0 113.535 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.357 1.456 . . . . 0.0 113.902 179.509 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 119.59 -0.561 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -59.17 160.19 19.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.42 3.413 . . . . 0.0 114.584 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.91 16.59 78.72 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.043 0.83 . . . . 0.0 115.173 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -149.52 136.52 19.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.543 1.537 . . . . 0.0 110.922 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.7 tpp -158.63 146.06 17.8 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.613 1.565 . . . . 0.0 110.527 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.62 -25.79 62.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.24 148.23 96.03 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.422 1.489 . . . . 0.0 111.93 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.89 158.34 57.77 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.653 2.902 . . . . 0.0 112.976 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -75.1 -21.57 58.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.662 1.185 . . . . 0.0 113.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -143.49 160.48 40.53 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.665 1.586 . . . . 0.0 111.88 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -131.25 150.66 52.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 128.969 2.908 . . . . 0.0 112.22 5.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -84.41 23.03 1.16 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.998 1.719 . . . . 0.0 113.792 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.71 -2.57 17.0 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.679 1.609 . . . . 0.0 115.791 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -56.32 -29.3 61.1 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.136 1.468 . . . . 0.0 113.053 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.02 -39.29 56.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.32 -39.5 89.32 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -70.55 -21.62 62.69 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.16 -15.43 36.1 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.229 1.412 . . . . 0.0 113.826 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 0 C-N-CA 126.17 1.843 . . . . 0.0 113.79 176.582 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.85 141.35 64.82 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.071 3.181 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.96 -1.08 87.07 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.102 1.334 . . . . 0.0 116.265 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 138.95 58.7 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.872 1.336 . . . . 0.0 112.676 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.6 -9.26 58.37 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.176 1.39 . . . . 0.0 114.56 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -130.25 137.62 50.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.135 1.774 . . . . 0.0 109.961 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -132.74 146.19 60.35 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 124.79 1.236 . . . . 0.0 111.606 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -66.01 -19.1 57.9 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.645 2.897 . . . . 0.0 114.135 -175.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 54.3 p -63.77 -20.96 66.17 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.674 1.19 . . . . 0.0 113.691 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.64 -11.88 44.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.68 1.192 . . . . 0.0 113.768 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -84.21 160.33 20.83 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.5 1.52 . . . . 0.0 112.686 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -81.66 16.18 1.86 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.729 1.212 . . . . 0.0 113.935 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.01 -10.43 26.55 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.369 1.461 . . . . 0.0 115.189 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -56.61 -28.55 60.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.702 1.201 . . . . 0.0 112.883 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -60.53 -37.58 81.67 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.975 1.31 . . . . 0.0 113.213 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.83 -44.96 91.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.19 -24.71 61.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.36 -41.08 41.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.704 0.802 . . . . 0.0 112.877 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.64 -28.53 36.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.65 156.49 39.4 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.192 -0.942 . . . . 0.0 113.46 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.044 1.307 . . . . 0.0 112.405 179.481 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 CA-C-O 119.196 -0.78 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.28 -33.14 72.13 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.652 2.901 . . . . 0.0 114.421 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 146.82 23.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.625 1.107 . . . . 0.0 113.464 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.8 p -155.34 163.4 40.16 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.748 1.619 . . . . 0.0 112.349 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 41.0 ttp -128.61 2.91 5.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.385 1.474 . . . . 0.0 113.693 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.91 144.1 54.28 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.385 1.474 . . . . 0.0 112.419 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 150.98 80.37 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.626 1.17 . . . . 0.0 110.876 170.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.41 120.04 7.24 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.324 2.683 . . . . 0.0 111.787 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 166.86 26.2 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.753 1.621 . . . . 0.0 111.862 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -73.26 16.36 0.18 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.871 2.068 . . . . 0.0 115.373 -174.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -77.86 -8.41 58.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.485 1.514 . . . . 0.0 114.152 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.19 -175.56 2.8 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.069 1.748 . . . . 0.0 113.221 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.91 -48.83 2.76 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.858 1.694 . . . . 0.0 113.548 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -64.34 -23.64 67.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.505 1.122 . . . . 0.0 113.02 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.21 -30.71 69.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.01 -32.05 71.31 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.812 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.21 -30.96 68.19 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.384 -0.823 . . . . 0.0 112.7 170.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -76.09 -32.23 59.11 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.205 0 CA-C-O 118.422 -1.21 . . . . 0.0 113.893 179.494 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.63 164.69 32.11 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 124.083 3.189 . . . . 0.0 112.571 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.77 129.7 49.91 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.685 0.659 . . . . 0.0 112.662 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m 53.38 24.57 3.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.863 1.665 . . . . 0.0 114.338 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . 0.257 27.8 ptm 46.42 33.42 1.91 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.168 2.187 . . . . 0.0 114.105 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.41 125.75 25.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.416 1.086 . . . . 0.0 112.995 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -147.57 159.85 40.28 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 127.237 2.215 . . . . 0.0 110.621 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.74 151.98 52.28 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.972 3.115 . . . . 0.0 113.796 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.6 p -76.92 -21.69 54.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.7 1.2 . . . . 0.0 113.731 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.5 m -69.53 132.53 46.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.523 1.129 . . . . 0.0 111.731 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -160.32 144.57 14.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.847 1.259 . . . . 0.0 111.941 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -81.0 -6.68 59.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 170.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.01 -8.15 60.81 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -59.38 -29.13 67.48 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.176 1.488 . . . . 0.0 112.483 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.11 -35.95 81.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.477 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.97 -49.55 77.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -79.44 -16.98 55.22 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.69 -37.23 42.23 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.48 1.112 . . . . 0.0 112.136 168.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.07 -41.73 41.12 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.17 161.66 28.03 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.385 0 C-N-CA 125.759 1.647 . . . . 0.0 113.71 -178.591 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 CA-C-O 118.561 -1.133 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.27 144.3 95.21 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.639 2.893 . . . . 0.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.07 -143.29 45.91 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.337 0.97 . . . . 0.0 113.345 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -70.51 -20.08 62.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.1 tmm? 60.56 -60.37 0.07 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 129.266 3.027 . . . . 0.0 115.636 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -80.87 10.38 5.11 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.779 1.632 . . . . 0.0 114.288 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.1 138.45 94.3 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.05 1.34 . . . . 0.0 111.767 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.03 150.9 61.68 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.45 2.767 . . . . 0.0 114.248 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 m 54.78 51.52 13.62 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.672 1.589 . . . . 0.0 112.007 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -68.67 166.56 17.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.35 1.46 . . . . 0.0 113.538 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -64.57 -13.23 52.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -125.99 -7.9 6.6 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.322 1.449 . . . . 0.0 114.178 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.37 -27.98 64.71 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.079 -1.013 . . . . 0.0 113.758 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -63.94 -25.14 68.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.085 0.954 . . . . 0.0 113.146 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.28 -39.3 54.64 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.87 -38.49 86.43 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.348 1.059 . . . . 0.0 113.776 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.05 -12.56 60.27 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -113.59 8.07 17.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.157 1.783 . . . . 0.0 113.451 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 C-N-CA 125.672 1.606 . . . . 0.0 114.118 178.867 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.369 -0.292 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.2 -12.4 21.13 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.135 3.223 . . . . 0.0 114.798 -176.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.71 -111.92 3.64 Favored Glycine 0 CA--C 1.535 1.3 0 O-C-N 121.363 -0.836 . . . . 0.0 111.175 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.3 t -148.44 144.79 27.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.438 1.095 . . . . 0.0 111.921 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.4 mmt -84.74 4.49 32.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.063 1.345 . . . . 0.0 113.643 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -60.47 147.94 39.34 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.948 1.299 . . . . 0.0 112.469 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -133.89 154.82 80.58 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 126.571 1.948 . . . . 0.0 111.417 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.84 153.0 79.4 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 123.438 2.759 . . . . 0.0 112.959 -176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.1 t -65.43 -30.27 71.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.647 1.179 . . . . 0.0 112.98 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -108.98 118.3 36.45 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.7 1.2 . . . . 0.0 110.2 168.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -77.48 -16.06 58.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.255 1.022 . . . . 0.0 113.651 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.79 3.77 18.49 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.88 56.79 Favored Glycine 0 CA--C 1.543 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 114.87 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -74.42 -23.34 58.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.363 1.082 . . . . 0.0 113.912 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.23 -49.3 76.29 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.594 1.158 . . . . 0.0 111.545 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.95 -51.8 65.49 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.36 -21.94 64.69 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.088 0.858 . . . . 0.0 113.207 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mp -76.13 -40.64 52.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.519 1.128 . . . . 0.0 112.603 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -75.14 -32.32 61.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.58 144.57 56.89 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.767 1.227 . . . . 0.0 112.399 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.797 1.665 . . . . 0.0 113.152 178.196 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.08 143.46 99.55 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.165 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.62 139.95 18.42 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.653 1.121 . . . . 0.0 113.711 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.8 p -83.25 -13.55 55.04 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.085 1.354 . . . . 0.0 114.445 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.05 170.89 11.89 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.622 1.569 . . . . 0.0 113.663 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -67.61 -13.43 62.07 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.267 1.427 . . . . 0.0 114.181 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 66.7 148.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 129.567 3.147 . . . . 0.0 115.575 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.34 156.65 54.7 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.194 2.596 . . . . 0.0 113.503 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.3 p -73.35 -25.22 60.51 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.643 0.777 . . . . 0.0 112.731 168.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 t -156.66 146.23 20.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.917 2.087 . . . . 0.0 110.479 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -155.82 148.35 23.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.51 1.524 . . . . 0.0 111.524 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.69 -14.88 56.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.682 1.193 . . . . 0.0 113.115 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.47 -3.31 19.12 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.512 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -54.88 -31.13 59.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.165 1.482 . . . . 0.0 112.965 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.09 -29.66 63.1 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mp -71.29 -37.42 71.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.388 0.994 . . . . 0.0 113.039 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -70.89 -32.55 69.54 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -93.56 -19.8 20.84 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.358 0 C-N-CA 125.881 1.705 . . . . 0.0 113.94 177.866 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 119.778 -0.457 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -60.55 -29.82 89.36 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.663 2.909 . . . . 0.0 114.891 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.58 -4.6 76.2 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.593 1.568 . . . . 0.0 115.758 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.8 m -68.47 131.07 44.64 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.585 1.192 . . . . 0.0 113.093 -174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 94.2 mtp -78.34 174.47 11.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.267 1.427 . . . . 0.0 112.433 174.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -60.02 159.13 9.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.477 1.111 . . . . 0.0 112.478 169.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.7 142.21 98.0 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.335 1.054 . . . . 0.0 112.049 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.33 164.52 34.98 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.205 3.27 . . . . 0.0 112.185 173.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 57.1 m -78.91 82.61 5.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.307 1.043 . . . . 0.0 110.172 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 38.1 m -137.16 10.36 3.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.208 1.403 . . . . 0.0 113.943 -170.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -67.67 153.85 42.8 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.661 1.584 . . . . 0.0 113.403 -175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.0 -11.05 34.53 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.536 1.534 . . . . 0.0 114.896 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.46 -18.51 30.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.136 1.35 . . . . 0.0 115.312 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -58.06 -32.92 68.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.088 1.444 . . . . 0.0 111.933 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.09 -43.26 87.83 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.134 1.373 . . . . 0.0 111.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.11 -51.42 69.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.35 -25.07 64.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.458 1.027 . . . . 0.0 113.489 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.24 -39.96 68.08 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.043 0.937 . . . . 0.0 112.084 172.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.57 -33.29 54.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.03 141.97 57.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.292 1.437 . . . . 0.0 112.65 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.309 0 C-N-CA 125.231 1.396 . . . . 0.0 112.808 -179.921 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 CA-C-O 119.459 -0.634 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.05 152.94 68.01 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.18 3.253 . . . . 0.0 113.045 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.78 -159.88 50.46 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.417 1.008 . . . . 0.0 114.528 177.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 m 61.71 -16.94 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 118.083 2.623 . . . . 0.0 118.083 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.9 ptm -65.16 132.76 49.97 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.689 1.131 . . . . 0.0 112.06 177.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -150.78 10.61 0.64 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -147.1 138.96 13.62 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.737 1.615 . . . . 0.0 110.458 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -58.36 142.9 98.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.253 2.635 . . . . 0.0 113.463 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.0 m 60.62 -65.11 0.06 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.303 2.241 . . . . 0.0 114.546 -172.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -161.74 151.19 16.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.789 1.635 . . . . 0.0 111.637 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -67.42 139.3 57.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.99 1.316 . . . . 0.0 112.456 176.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -145.96 10.58 1.18 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -170.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.18 -7.04 70.64 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -170.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -60.74 -29.85 69.63 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.854 1.327 . . . . 0.0 113.686 -174.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.8 -29.21 66.46 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.95 -35.1 76.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.854 1.261 . . . . 0.0 113.877 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -105.29 -18.8 14.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.74 157.43 37.93 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.975 1.261 . . . . 0.0 113.514 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.115 0 C-N-CA 125.521 1.534 . . . . 0.0 112.775 -179.778 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.55 149.24 79.66 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.698 2.932 . . . . 0.0 112.681 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.97 -17.85 70.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.059 0.838 . . . . 0.0 115.168 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 32.9 t -69.46 -32.21 70.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 172.201 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 58.4 mtt 58.96 164.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.761 2.424 . . . . 0.0 115.655 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.27 131.99 46.32 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.075 -1.015 . . . . 0.0 111.352 176.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.17 149.7 50.53 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.696 1.199 . . . . 0.0 112.106 -176.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.94 146.09 81.77 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.97 2.447 . . . . 0.0 112.005 173.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -76.94 135.8 38.77 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.618 0.767 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -63.04 149.37 45.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.519 1.127 . . . . 0.0 113.115 178.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -20.31 65.57 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -173.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -112.06 -18.69 12.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.365 1.466 . . . . 0.0 114.016 170.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -30.23 77.42 Favored Glycine 0 N--CA 1.476 1.328 0 O-C-N 120.912 -1.118 . . . . 0.0 113.771 -172.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -67.02 -26.08 66.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.738 1.215 . . . . 0.0 113.518 174.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.87 -39.09 80.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.887 0.875 . . . . 0.0 111.817 -172.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -80.96 -34.73 32.92 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 174.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -76.0 -42.77 47.1 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -168.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.59 143.78 40.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.973 0.909 . . . . 0.0 112.74 177.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.235 1.874 . . . . 0.0 112.6 178.066 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-O 119.01 -0.883 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.04 168.76 26.37 Favored 'Cis proline' 0 C--N 1.354 0.849 0 CA-C-N 119.568 1.684 . . . . 0.0 114.911 -0.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.1 161.42 33.28 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.866 1.222 . . . . 0.0 112.896 178.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -81.19 66.29 6.67 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.066 1.346 . . . . 0.0 112.489 -178.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.04 126.85 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.052 0.941 . . . . 0.0 111.385 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -82.91 54.38 2.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.339 1.456 . . . . 0.0 112.911 -179.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.24 134.22 94.6 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.848 1.259 . . . . 0.0 110.9 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.45 101.79 0.91 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.435 2.757 . . . . 0.0 111.881 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -80.83 -20.27 42.8 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.6 m -60.97 143.87 54.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.573 1.549 . . . . 0.0 113.766 -176.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -75.46 166.15 24.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.238 1.015 . . . . 0.0 113.01 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.07 -2.49 21.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.232 1.413 . . . . 0.0 114.367 173.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -22.22 55.9 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 120.864 -1.148 . . . . 0.0 115.233 -171.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -63.04 -29.62 70.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.283 1.041 . . . . 0.0 113.208 173.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.37 -29.04 59.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.44 -32.51 73.42 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.557 1.071 . . . . 0.0 113.251 172.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.38 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 176.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.16 -7.74 59.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.399 1.08 . . . . 0.0 113.599 176.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.514 1.53 . . . . 0.0 113.786 -178.836 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.09 -17.99 45.7 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.992 3.128 . . . . 0.0 114.633 -173.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.36 -6.65 86.64 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.546 1.07 . . . . 0.0 115.365 174.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -74.22 163.36 27.93 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.993 1.396 . . . . 0.0 113.077 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 78.7 mtp 63.49 157.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.093 2.557 . . . . 0.0 115.596 -178.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.05 137.79 47.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.26 -0.9 . . . . 0.0 110.671 172.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.02 144.04 36.55 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.348 1.459 . . . . 0.0 111.109 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.01 145.08 54.64 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.57 2.847 . . . . 0.0 112.384 -177.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 79.3 p -79.38 -22.31 44.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.001 0.921 . . . . 0.0 113.394 174.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 39.3 m 61.3 159.06 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.483 2.313 . . . . 0.0 115.746 -175.561 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 26.1 m -68.55 -18.58 64.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.73 -45.27 68.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.858 0.863 . . . . 0.0 112.789 -178.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.96 -45.2 0.7 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.813 2.149 . . . . 0.0 116.141 176.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -66.2 -26.75 67.54 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.813 1.245 . . . . 0.0 113.755 -171.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -65.01 -38.93 92.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.395 1.078 . . . . 0.0 113.406 -173.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -35.39 71.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -87.27 -37.02 17.58 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 113.361 171.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.52 -34.62 77.48 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -175.063 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.22 -12.36 61.6 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.805 1.242 . . . . 0.0 113.591 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -77.51 -15.87 59.03 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.259 0 C-N-CA 125.143 1.354 . . . . 0.0 113.306 -179.114 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 119.851 -0.416 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.1 155.61 54.95 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.275 3.317 . . . . 0.0 114.159 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.07 158.6 44.47 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.56 1.076 . . . . 0.0 113.524 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 56.97 32.56 21.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.522 . . . . 0.0 114.953 175.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 35.3 mmt -74.87 155.82 37.1 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.868 -1.145 . . . . 0.0 112.308 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.95 161.94 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.808 1.643 . . . . 0.0 112.474 -176.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.22 158.04 74.12 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 113.364 176.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.75 147.7 86.84 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.561 2.84 . . . . 0.0 114.05 177.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -156.48 168.43 27.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.27 1.828 . . . . 0.0 110.823 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -63.85 116.92 6.25 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.143 0.977 . . . . 0.0 111.513 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 t -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.8 0.84 . . . . 0.0 113.163 -171.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -107.05 18.4 21.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.831 1.253 . . . . 0.0 113.742 -178.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -16.21 37.3 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.159 0.885 . . . . 0.0 114.798 176.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.604 1.162 . . . . 0.0 113.172 174.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.83 -22.62 65.14 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.07 -40.77 62.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.006 0.922 . . . . 0.0 111.64 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.86 -15.78 62.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 175.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -72.02 -11.31 60.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 167.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.427 0 C-N-CA 125.565 1.555 . . . . 0.0 114.065 178.101 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 120.028 -0.318 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -74.41 -10.51 22.25 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.135 3.223 . . . . 0.0 115.45 -177.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 -99.1 2.16 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.123 -0.986 . . . . 0.0 112.229 -176.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t 61.76 175.32 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.983 1.713 . . . . 0.0 113.846 -171.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.3 ttt -63.03 142.52 58.35 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.697 1.199 . . . . 0.0 111.171 174.394 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -65.36 146.15 55.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.882 1.273 . . . . 0.0 112.715 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -141.14 149.9 56.99 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.166 1.786 . . . . 0.0 111.183 -172.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.45 157.24 62.7 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.37 2.713 . . . . 0.0 113.006 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 84.8 m -72.03 -40.7 68.24 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.812 0.845 . . . . 0.0 112.488 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m 49.44 51.03 17.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.874 1.67 . . . . 0.0 114.388 171.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.1 t -138.92 145.86 40.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.177 1.391 . . . . 0.0 112.774 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.89 6.84 8.22 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.487 1.515 . . . . 0.0 113.271 175.031 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -5.26 29.6 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.519 1.533 . . . . 0.0 116.294 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -55.81 -27.16 49.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.761 1.28 . . . . 0.0 113.154 173.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.24 -34.63 75.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.687 1.595 . . . . 0.0 113.073 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.51 -49.81 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.97 -22.91 64.08 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.37 -41.62 21.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.546 1.138 . . . . 0.0 113.127 175.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.46 -31.34 42.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.137 0.975 . . . . 0.0 113.196 -178.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -68.77 142.02 55.05 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.964 0.906 . . . . 0.0 112.463 178.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.309 0 C-N-CA 125.451 1.5 . . . . 0.0 113.294 -177.45 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.982 -0.343 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -66.96 -17.34 51.39 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.088 3.192 . . . . 0.0 115.732 -175.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.99 9.62 86.8 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.112 0.863 . . . . 0.0 114.138 -174.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -153.75 166.36 33.1 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.96 2.104 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.5 mtm -60.96 151.62 29.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.441 1.096 . . . . 0.0 112.309 178.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -143.96 152.97 41.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.304 1.042 . . . . 0.0 112.045 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -85.14 164.14 42.57 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.676 1.59 . . . . 0.0 112.41 173.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -72.03 -21.24 24.39 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.623 2.215 . . . . 0.0 115.892 -172.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -135.72 158.22 44.93 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.417 1.487 . . . . 0.0 112.438 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -66.81 -19.95 65.84 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 t -152.39 156.24 39.14 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.659 1.583 . . . . 0.0 110.586 178.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -142.77 177.21 8.48 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.761 1.625 . . . . 0.0 112.283 -178.132 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.04 -34.89 1.92 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.2 1.381 . . . . 0.0 114.265 -176.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.84 -25.47 66.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.234 1.414 . . . . 0.0 112.444 172.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -80.02 -21.74 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.42 -39.51 53.33 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.491 171.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.46 -31.11 29.58 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -72.56 147.24 46.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.37 0.986 . . . . 0.0 113.294 -177.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 C-N-CA 125.659 1.6 . . . . 0.0 113.846 179.238 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.744 -0.476 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -68.79 159.7 52.68 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 124.077 3.185 . . . . 0.0 113.227 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.44 169.65 38.8 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.884 1.23 . . . . 0.0 113.439 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -156.02 165.86 35.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.377 1.471 . . . . 0.0 113.202 178.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 93.1 mtp -84.31 7.21 20.11 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.074 1.35 . . . . 0.0 113.852 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.33 119.79 9.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.669 1.187 . . . . 0.0 112.606 -175.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -83.19 135.15 44.8 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.054 1.342 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -74.51 -20.43 18.12 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.197 2.598 . . . . 0.0 114.38 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.1 m -63.76 139.91 58.82 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.338 1.455 . . . . 0.0 112.55 -177.128 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -68.95 148.0 50.8 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.153 0.981 . . . . 0.0 113.276 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -74.77 -7.43 53.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.229 1.412 . . . . 0.0 114.46 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.67 9.18 2.41 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -174.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.79 -12.36 27.72 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.734 1.159 . . . . 0.0 115.15 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -57.85 -27.69 63.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.882 1.273 . . . . 0.0 112.379 172.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.18 -40.85 95.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.786 1.234 . . . . 0.0 112.549 -178.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.43 -42.28 83.41 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.53 -32.29 62.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 173.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.18 -36.34 83.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.103 0.961 . . . . 0.0 113.33 -177.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.95 -20.32 64.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.055 . . . . 0.0 113.616 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -88.91 -6.47 57.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.888 1.275 . . . . 0.0 113.281 178.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.722 1.63 . . . . 0.0 113.791 177.229 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -59.08 155.75 37.81 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.994 3.13 . . . . 0.0 114.1 -178.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.61 147.5 50.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.84 0.733 . . . . 0.0 113.385 176.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -79.46 76.99 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.716 1.206 . . . . 0.0 111.374 179.284 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt 52.21 -89.76 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.135 2.574 . . . . 0.0 114.008 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.94 -28.93 64.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.322 1.049 . . . . 0.0 112.745 177.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -88.6 140.25 29.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 111.752 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.7 177.12 1.03 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.162 3.242 . . . . 0.0 114.201 169.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 t -61.63 151.56 33.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.253 1.021 . . . . 0.0 111.886 168.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t 57.18 -159.45 0.25 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.607 1.563 . . . . 0.0 113.15 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -149.66 133.2 16.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.26 1.424 . . . . 0.0 111.794 178.109 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -158.05 -173.81 4.53 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.106 1.762 . . . . 0.0 111.386 -178.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 -10.31 67.14 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 115.34 174.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -61.28 -30.7 70.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.789 1.295 . . . . 0.0 112.122 174.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.31 -35.56 73.75 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.03 -41.76 86.03 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -177.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -72.94 -19.89 61.16 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.71 -1.71 57.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.085 1.354 . . . . 0.0 113.905 174.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 C-N-CA 125.374 1.464 . . . . 0.0 113.946 178.511 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 120.086 -0.286 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.21 151.14 86.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.245 3.297 . . . . 0.0 113.749 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.44 140.35 30.56 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 123.596 0.617 . . . . 0.0 112.894 171.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 71.2 m -83.54 143.65 30.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.577 0.751 . . . . 0.0 112.122 175.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 98.0 mtp -75.23 -27.44 59.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.446 2.299 . . . . 0.0 113.225 -5.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -143.78 145.98 32.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.356 1.462 . . . . 0.0 111.141 176.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -72.71 139.13 80.33 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.612 1.165 . . . . 0.0 111.026 172.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.02 148.71 92.02 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.102 2.535 . . . . 0.0 113.565 172.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.9 m 65.44 146.23 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.702 2.001 . . . . 0.0 113.91 -175.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 t -60.76 129.84 43.5 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.054 -1.028 . . . . 0.0 112.25 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 25.5 t -162.23 162.89 28.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.856 1.662 . . . . 0.0 111.026 -177.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -77.35 43.75 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.527 1.531 . . . . 0.0 113.152 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.57 -18.13 50.59 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.911 -1.118 . . . . 0.0 114.765 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -61.97 -28.23 69.41 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.972 0.909 . . . . 0.0 112.938 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.37 -43.21 86.61 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -173.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -61.43 -43.97 97.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -86.59 -34.66 19.81 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 177.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.38 -26.22 67.9 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -174.449 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.72 -13.86 60.32 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 173.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.93 158.52 19.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.492 1.117 . . . . 0.0 112.851 -177.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 C-N-CA 125.468 1.509 . . . . 0.0 114.169 178.525 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 . . . . . 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 . . . . . 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.96 149.37 77.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.564 2.843 . . . . 0.0 112.609 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 -19.25 73.71 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.957 0.789 . . . . 0.0 114.796 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 m -96.61 135.08 39.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.328 . . . . 0.0 112.108 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.52 156.02 39.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.718 2.407 . . . . 0.0 111.764 -13.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -61.14 -31.98 71.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.961 0.904 . . . . 0.0 113.022 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -153.8 156.44 32.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.506 1.922 . . . . 0.0 111.049 166.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -66.28 170.06 12.73 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.779 2.319 . . . . 0.0 111.726 168.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.39 -27.14 68.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.152 0.981 . . . . 0.0 112.381 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -59.3 149.7 28.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.449 1.5 . . . . 0.0 113.153 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t 61.38 28.76 18.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.764 1.626 . . . . 0.0 115.256 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -71.3 -14.6 62.26 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.394 -1.441 . . . . 0.0 113.066 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.23 -11.57 40.27 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.341 1.448 . . . . 0.0 116.243 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -59.06 -31.0 68.48 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.181 1.49 . . . . 0.0 112.108 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -67.11 -20.64 65.82 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.54 -39.92 51.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.157 1.383 . . . . 0.0 112.602 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -76.04 -37.52 58.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.732 0.813 . . . . 0.0 112.878 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -74.37 165.94 24.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.549 1.539 . . . . 0.0 113.27 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 C-N-CA 125.47 1.51 . . . . 0.0 114.009 177.518 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -73.67 -18.02 22.69 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.886 3.057 . . . . 0.0 114.419 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.04 -148.46 8.59 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.676 1.608 . . . . 0.0 112.119 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -66.45 -27.07 67.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.858 0.863 . . . . 0.0 113.146 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 99.2 mmm -78.85 138.54 38.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.134 . . . . 0.0 111.936 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.46 -18.83 37.26 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.53 147.24 98.07 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 124.476 1.11 . . . . 0.0 112.649 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -68.74 153.98 72.11 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.836 3.024 . . . . 0.0 112.403 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -74.09 156.03 37.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.997 1.319 . . . . 0.0 112.527 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 21.5 p 61.02 -0.96 0.28 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.354 2.662 . . . . 0.0 117.649 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -75.11 160.53 30.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.141 1.377 . . . . 0.0 112.473 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -68.84 -0.17 5.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.342 1.457 . . . . 0.0 114.591 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.71 -5.43 13.12 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.408 1.48 . . . . 0.0 115.528 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -65.28 -27.89 68.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.915 1.358 . . . . 0.0 112.885 170.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.09 -37.63 88.16 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.614 1.165 . . . . 0.0 112.497 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -64.31 -49.25 72.52 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.45 -20.11 65.45 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.27 -38.22 31.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.824 1.25 . . . . 0.0 113.074 171.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -78.06 -25.28 47.63 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.67 158.69 26.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.378 1.071 . . . . 0.0 113.544 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 C-N-CA 125.826 1.679 . . . . 0.0 113.282 175.869 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.872 -0.405 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -58.25 145.78 91.68 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 124.145 3.23 . . . . 0.0 114.185 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.57 36.48 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.23 0.919 . . . . 0.0 113.546 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -76.84 76.03 3.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.707 1.203 . . . . 0.0 111.022 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.8 mtm -73.46 10.42 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.208 1.803 . . . . 0.0 114.783 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.3 42.19 0.26 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.63 1.972 . . . . 0.0 113.543 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 148.97 88.21 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.956 1.302 . . . . 0.0 113.382 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.07 143.71 85.32 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 123.333 2.689 . . . . 0.0 112.274 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 t -159.29 171.85 19.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.503 1.521 . . . . 0.0 111.37 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -59.41 150.84 25.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 112.59 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 149.27 33.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.037 1.335 . . . . 0.0 112.536 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -125.41 28.99 6.14 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.444 1.898 . . . . 0.0 112.729 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.92 -12.07 20.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.045 1.307 . . . . 0.0 115.915 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -61.98 -29.02 69.96 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.832 1.316 . . . . 0.0 112.853 171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.15 -17.64 61.36 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.39 -34.36 54.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.123 0.969 . . . . 0.0 112.999 168.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.78 -33.7 60.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.95 0.9 . . . . 0.0 113.367 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.29 159.08 33.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.862 1.265 . . . . 0.0 112.924 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.419 1.485 . . . . 0.0 113.696 177.858 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -66.58 -15.18 46.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.362 3.375 . . . . 0.0 116.115 -174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 3.07 89.77 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.617 1.103 . . . . 0.0 115.619 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 7.7 t 53.36 53.05 12.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.988 1.715 . . . . 0.0 113.515 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.04 137.77 58.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.114 0.966 . . . . 0.0 112.073 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.63 159.22 32.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.672 1.189 . . . . 0.0 112.417 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 144.62 93.27 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.327 1.051 . . . . 0.0 112.005 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.76 159.49 53.5 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.837 3.025 . . . . 0.0 113.1 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 67.1 p -78.97 1.9 22.19 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.647 1.579 . . . . 0.0 114.509 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -61.75 149.67 39.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.762 1.225 . . . . 0.0 112.939 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 89.1 p -139.47 16.02 2.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.355 1.462 . . . . 0.0 113.926 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.13 -35.88 82.22 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.123 -0.986 . . . . 0.0 112.859 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.83 -57.7 3.06 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.726 1.631 . . . . 0.0 115.549 170.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -63.72 -28.23 69.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -62.43 -35.78 80.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.947 1.299 . . . . 0.0 113.233 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.82 -47.48 74.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.3 -30.08 65.82 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.99 -35.63 81.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 113.106 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.89 -11.99 51.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.245 . . . . 0.0 114.033 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -67.1 142.21 57.18 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.154 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.12 1.343 . . . . 0.0 113.031 178.257 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.97 1.67 8.95 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 125.117 3.878 . . . . 0.0 115.072 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.73 15.05 71.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.656 1.122 . . . . 0.0 114.901 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -150.83 152.78 34.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.221 1.809 . . . . 0.0 111.029 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.2 mmm -75.49 -23.51 56.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.826 0.851 . . . . 0.0 112.826 172.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.4 m120 59.69 -40.85 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 129.022 2.929 . . . . 0.0 116.477 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.29 159.56 84.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.534 1.934 . . . . 0.0 112.373 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.24 142.88 97.65 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.027 2.484 . . . . 0.0 112.524 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.6 t -74.47 150.76 39.74 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.505 0.722 . . . . 0.0 112.801 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -69.71 162.85 26.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t 58.31 -160.76 0.25 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.321 1.449 . . . . 0.0 113.204 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.35 -12.71 45.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.722 1.609 . . . . 0.0 114.91 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -1.99 45.01 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.36 1.457 . . . . 0.0 115.782 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -53.63 -25.41 17.61 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.488 1.644 . . . . 0.0 114.073 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -66.09 -24.83 66.78 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.66 -30.36 64.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.198 0.999 . . . . 0.0 112.406 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -88.92 -37.81 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.238 1.015 . . . . 0.0 113.197 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -80.01 -4.81 54.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 C-N-CA 125.336 1.446 . . . . 0.0 113.395 177.391 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 112.255 -0.338 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.28 -9.89 20.56 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.496 3.464 . . . . 0.0 114.819 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.79 -162.23 44.79 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.512 1.053 . . . . 0.0 113.412 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 57.0 m -122.85 143.17 50.04 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.641 1.176 . . . . 0.0 112.363 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 95.7 mmm -97.18 149.86 21.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.765 1.226 . . . . 0.0 112.153 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -71.53 149.07 46.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.085 2.154 . . . . 0.0 112.119 -6.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.74 149.91 88.25 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.211 1.404 . . . . 0.0 112.9 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.78 129.8 21.81 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.635 2.223 . . . . 0.0 111.419 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.8 t -81.7 -32.62 31.58 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 31.3 t -83.91 141.91 30.94 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -81.04 -10.31 59.71 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.339 1.456 . . . . 0.0 113.6 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -128.51 -29.1 2.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.262 1.425 . . . . 0.0 114.39 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.35 -26.51 66.32 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 119.518 1.054 . . . . 0.0 113.849 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -66.83 -29.72 69.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.179 0.991 . . . . 0.0 112.838 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -66.21 -40.6 90.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.718 0.807 . . . . 0.0 111.944 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -64.35 -47.63 78.6 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.51 -22.2 65.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.55 -40.79 61.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.631 0.772 . . . . 0.0 112.114 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.19 -19.51 64.78 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.445 1.098 . . . . 0.0 113.526 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.65 -11.6 60.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.486 1.114 . . . . 0.0 113.588 170.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.273 1.416 . . . . 0.0 114.254 178.353 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.415 -0.659 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.19 158.43 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.318 3.345 . . . . 0.0 113.98 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.69 48.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.238 0.923 . . . . 0.0 113.64 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 t -74.32 -27.46 60.72 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtt 52.08 53.75 11.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.466 1.906 . . . . 0.0 113.718 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -73.69 -10.96 60.22 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -170.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.55 146.67 98.11 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.454 1.102 . . . . 0.0 112.776 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.31 -15.39 22.61 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.654 2.903 . . . . 0.0 113.491 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -136.01 165.48 25.58 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.42 1.888 . . . . 0.0 112.141 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -143.87 -169.17 3.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.878 1.671 . . . . 0.0 112.172 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -56.11 150.74 13.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.705 1.602 . . . . 0.0 114.093 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 62.95 10.82 4.63 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.886 2.074 . . . . 0.0 115.321 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.05 60.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.427 1.489 . . . . 0.0 115.248 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.351 1.46 . . . . 0.0 113.212 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.19 -29.91 68.87 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.87 -37.56 81.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.207 1.003 . . . . 0.0 112.293 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.04 -26.53 60.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.172 0.989 . . . . 0.0 113.197 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -72.82 -21.82 60.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.132 0.973 . . . . 0.0 112.882 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 C-N-CA 125.792 1.663 . . . . 0.0 113.852 177.102 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.15 158.63 56.65 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 123.871 3.047 . . . . 0.0 113.065 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.58 14.6 0.09 OUTLIER Glycine 0 CA--C 1.534 1.232 0 O-C-N 118.955 -2.341 . . . . 0.0 115.252 -0.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.6 m -66.49 153.46 42.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 113.145 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -150.19 163.96 36.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.206 1.403 . . . . 0.0 112.053 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -128.33 169.79 13.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.602 1.561 . . . . 0.0 112.174 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -136.07 137.97 26.3 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.321 1.848 . . . . 0.0 110.945 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.67 -177.59 0.44 Allowed 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 124.0 3.133 . . . . 0.0 114.281 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 43.0 m -51.75 122.83 8.86 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.127 1.371 . . . . 0.0 111.684 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.2 p -77.46 -32.3 54.33 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -166.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t 51.1 -157.24 0.11 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.788 1.235 . . . . 0.0 112.248 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -84.98 -9.06 58.45 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.75 -1.219 . . . . 0.0 113.291 165.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.65 -5.62 64.53 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.597 1.57 . . . . 0.0 115.331 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -58.01 -30.89 66.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 113.073 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.47 -37.41 87.18 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.759 1.224 . . . . 0.0 113.025 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -63.34 -50.9 68.15 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.91 -21.53 64.22 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.86 -35.85 43.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.575 1.15 . . . . 0.0 112.899 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.94 -34.88 69.39 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.862 0.865 . . . . 0.0 112.693 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -73.49 157.84 36.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.941 1.296 . . . . 0.0 112.832 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 CA-C-O 118.356 -1.246 . . . . 0.0 113.336 178.74 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.764 -0.465 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.97 152.97 67.18 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.354 3.369 . . . . 0.0 113.784 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.53 -159.1 50.7 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.453 1.025 . . . . 0.0 114.424 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.7 p -153.26 159.54 42.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.102 1.361 . . . . 0.0 111.828 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -127.08 16.57 7.27 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.469 1.508 . . . . 0.0 113.255 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.57 -49.16 67.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.101 0.96 . . . . 0.0 111.982 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -76.54 153.24 83.63 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 124.723 1.209 . . . . 0.0 112.031 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.17 143.3 93.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.193 2.595 . . . . 0.0 112.822 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -100.46 12.75 36.55 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.505 1.522 . . . . 0.0 113.472 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m 58.51 27.63 15.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.011 1.724 . . . . 0.0 114.728 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -153.99 143.09 21.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.944 1.698 . . . . 0.0 110.606 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.05 -13.08 61.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -3.38 42.47 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.976 1.274 . . . . 0.0 115.605 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -58.56 -30.33 67.06 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.151 1.476 . . . . 0.0 113.332 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.69 -21.04 61.12 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.17 -41.2 35.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.48 1.112 . . . . 0.0 112.016 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.37 -39.79 52.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.325 1.05 . . . . 0.0 113.382 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.85 155.46 30.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.238 1.015 . . . . 0.0 112.873 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.35 1.452 . . . . 0.0 113.26 -179.351 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.519 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.477 1.391 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.26 134.67 46.51 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.846 2.364 . . . . 0.0 111.298 176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.45 -4.38 50.03 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.067 1.318 . . . . 0.0 115.822 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 19.9 m -79.6 -8.66 59.33 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.273 1.536 . . . . 0.0 113.832 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -62.7 140.4 58.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.07 1.348 . . . . 0.0 112.885 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.76 149.96 49.27 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.742 1.217 . . . . 0.0 112.764 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.53 147.29 96.69 Favored Pre-proline 0 N--CA 1.477 0.917 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.548 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.98 150.57 83.36 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.179 2.586 . . . . 0.0 113.633 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -72.92 152.24 41.52 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.534 1.134 . . . . 0.0 111.966 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 m -71.28 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.273 1.029 . . . . 0.0 112.933 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -71.61 166.95 20.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.5 1.52 . . . . 0.0 112.773 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.77 -8.58 11.01 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 114.09 165.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.55 -16.57 22.78 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.18 1.371 . . . . 0.0 115.806 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.47 -30.0 70.32 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.376 1.588 . . . . 0.0 112.491 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.14 -35.78 78.64 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.645 1.178 . . . . 0.0 112.362 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -63.17 -48.91 76.38 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.03 -24.5 66.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.065 0.848 . . . . 0.0 113.268 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.71 -37.65 55.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.719 1.208 . . . . 0.0 112.722 172.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.54 -27.86 68.08 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.021 -1.05 . . . . 0.0 112.583 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -73.61 -11.03 60.29 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.001 1.321 . . . . 0.0 114.464 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 118.263 -1.298 . . . . 0.0 113.963 -179.249 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 119.228 -0.762 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.98 154.57 70.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.753 2.968 . . . . 0.0 112.989 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.86 1.02 89.3 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.819 1.199 . . . . 0.0 115.339 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -141.61 154.63 45.52 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.396 1.878 . . . . 0.0 111.148 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.14 24.05 9.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.112 2.965 . . . . 0.0 113.239 2.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.65 153.7 23.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 113.364 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -146.99 155.48 47.42 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.241 1.816 . . . . 0.0 111.869 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -64.96 151.65 85.07 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.263 2.642 . . . . 0.0 112.409 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -80.97 -12.13 59.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.358 1.463 . . . . 0.0 114.183 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m 56.91 27.91 13.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.822 1.649 . . . . 0.0 114.203 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -64.22 -21.88 66.74 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.339 1.056 . . . . 0.0 113.212 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -82.03 14.9 2.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.953 1.701 . . . . 0.0 114.047 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.34 -13.74 30.67 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.732 1.158 . . . . 0.0 115.177 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -57.07 -26.75 60.91 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.188 1.395 . . . . 0.0 112.891 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.5 -21.99 64.56 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.45 -40.67 29.32 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.581 1.153 . . . . 0.0 111.895 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -67.92 -32.96 73.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.545 1.066 . . . . 0.0 112.526 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.99 -6.0 46.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.142 1.377 . . . . 0.0 114.255 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.916 1.722 . . . . 0.0 113.178 178.636 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 159.33 54.04 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.156 3.237 . . . . 0.0 112.899 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.33 -178.26 31.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.453 1.025 . . . . 0.0 113.941 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t -63.48 130.27 43.69 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.646 -0.914 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 87.9 mtp -94.68 -7.67 40.05 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -168.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -153.83 159.97 42.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.999 1.32 . . . . 0.0 111.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' LYS . . . . . 0.421 ' HE3' ' CG ' ' B' ' 114' ' ' TRP . 64.8 mttm -66.77 153.98 92.72 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.982 1.313 . . . . 0.0 112.518 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.61 -12.23 26.71 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.729 2.953 . . . . 0.0 114.775 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -146.94 150.55 35.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.095 1.358 . . . . 0.0 112.097 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 36.2 t -81.65 119.45 23.83 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.311 1.044 . . . . 0.0 111.738 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -161.75 147.89 13.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.766 1.627 . . . . 0.0 110.541 172.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.17 -18.16 27.69 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 170.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.6 -4.66 89.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.57 1.557 . . . . 0.0 116.026 -165.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.421 ' CG ' ' HE3' ' B' ' 107' ' ' LYS . 61.9 p-90 -59.42 -24.91 63.9 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.564 1.182 . . . . 0.0 113.57 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -61.76 -36.95 82.5 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.381 1.473 . . . . 0.0 113.254 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -63.09 -49.71 73.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.08 -25.81 66.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.98 -39.02 63.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.802 0.841 . . . . 0.0 112.394 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.64 -28.61 68.61 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.514 1.052 . . . . 0.0 112.96 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.31 -22.17 60.4 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.494 1.118 . . . . 0.0 113.457 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 C-N-CA 125.651 1.596 . . . . 0.0 113.953 -176.794 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.69 155.55 53.13 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.373 3.382 . . . . 0.0 114.762 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.33 168.79 42.81 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.826 1.203 . . . . 0.0 115.03 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -63.31 136.44 57.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.381 1.073 . . . . 0.0 112.862 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtp 58.69 4.75 0.4 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.156 2.182 . . . . 0.0 116.526 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.97 7.73 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.621 1.169 . . . . 0.0 113.944 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.44 69.88 1.64 Allowed Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 127.008 2.123 . . . . 0.0 113.134 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 -14.64 32.46 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.78 2.987 . . . . 0.0 114.084 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -135.23 151.76 50.91 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.177 1.791 . . . . 0.0 111.889 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -159.66 168.72 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.756 1.222 . . . . 0.0 113.396 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.4 p 48.44 -119.76 1.19 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.568 2.347 . . . . 0.0 115.19 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.97 53.19 1.36 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.578 1.951 . . . . 0.0 113.775 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.86 49.27 Favored Glycine 0 CA--C 1.538 1.512 0 O-C-N 120.799 -1.188 . . . . 0.0 115.122 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 -61.69 -30.23 70.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.28 1.04 . . . . 0.0 113.131 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.1 -26.0 66.49 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -42.54 57.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 112.367 174.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.16 -31.72 69.34 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.345 -0.847 . . . . 0.0 112.595 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 -4.02 45.03 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.913 1.285 . . . . 0.0 113.928 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.657 1.598 . . . . 0.0 114.062 178.383 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 CA-C-O 119.152 -0.805 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.25 65.5 7.91 Favored 'Trans proline' 0 CA--C 1.547 1.156 1 C-N-CA 125.318 4.012 . . . . 0.0 112.45 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.8 -173.93 49.32 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.686 1.136 . . . . 0.0 114.262 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m 58.79 26.39 14.68 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.21 1.804 . . . . 0.0 115.649 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -59.05 -29.68 67.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.343 1.057 . . . . 0.0 113.477 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.19 -27.61 65.65 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.579 1.151 . . . . 0.0 113.717 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -151.88 71.55 7.97 Favored Pre-proline 0 N--CA 1.481 1.075 0 C-N-CA 125.332 1.453 . . . . 0.0 111.261 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.73 134.89 33.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.179 2.586 . . . . 0.0 111.729 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.2 t -75.91 -10.56 59.52 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -78.36 -5.89 53.55 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -64.09 136.92 57.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -91.28 6.55 44.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 0.0 112.905 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.04 50.61 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.809 1.195 . . . . 0.0 115.228 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -60.18 -27.42 67.12 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.352 1.061 . . . . 0.0 112.875 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -65.21 -39.61 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.758 1.223 . . . . 0.0 113.1 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -63.94 -49.01 74.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -69.44 -25.49 64.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.63 -39.69 70.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.215 1.006 . . . . 0.0 112.227 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.96 -29.92 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.152 -0.968 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -75.59 -8.7 57.44 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.918 1.287 . . . . 0.0 114.133 171.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.369 0 C-N-CA 125.731 1.634 . . . . 0.0 114.919 -175.407 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.28 156.3 65.72 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.879 3.053 . . . . 0.0 112.929 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.3 146.72 34.94 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.715 1.15 . . . . 0.0 113.144 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -157.63 161.92 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.942 1.297 . . . . 0.0 112.502 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.4 mtp 46.29 55.78 6.98 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.643 1.977 . . . . 0.0 115.368 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -129.71 18.29 5.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.487 3.115 . . . . 0.0 112.282 5.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.99 144.55 97.2 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.629 1.171 . . . . 0.0 111.949 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.95 160.67 42.73 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.644 2.896 . . . . 0.0 112.829 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 m -66.56 144.47 56.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.238 1.015 . . . . 0.0 110.901 168.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -132.17 111.92 11.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.768 1.227 . . . . 0.0 111.452 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -155.43 10.38 0.31 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.435 1.494 . . . . 0.0 113.802 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 59.16 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.842 2.457 . . . . 0.0 113.811 -165.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.52 -46.48 1.09 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 126.635 2.064 . . . . 0.0 115.794 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -64.35 -27.37 68.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.829 1.252 . . . . 0.0 113.663 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.51 -26.87 63.79 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -36.95 82.72 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.0 0.818 . . . . 0.0 112.043 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -68.84 -23.25 64.22 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.83 -13.0 60.27 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 171.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.882 1.706 . . . . 0.0 113.44 179.079 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.29 -28.13 23.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.361 2.707 . . . . 0.0 114.089 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.17 162.22 19.69 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.912 1.244 . . . . 0.0 113.42 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -84.08 6.32 22.69 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.081 1.352 . . . . 0.0 114.288 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.6 ptm -63.32 158.19 21.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.266 1.426 . . . . 0.0 114.421 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -145.75 158.62 43.84 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.931 1.693 . . . . 0.0 111.077 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.58 143.91 97.85 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.818 1.247 . . . . 0.0 113.129 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.54 154.91 55.26 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.801 3.001 . . . . 0.0 112.315 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -159.6 155.96 27.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.362 1.465 . . . . 0.0 111.383 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 35.5 t -155.84 140.67 17.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -76.96 -17.93 58.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.755 1.222 . . . . 0.0 113.77 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -132.3 -179.99 5.77 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.557 1.943 . . . . 0.0 112.782 -168.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.2 2.16 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 125.391 1.472 . . . . 0.0 114.182 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -61.97 -28.84 69.84 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.291 1.036 . . . . 0.0 112.387 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -63.97 -41.56 97.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.099 1.76 . . . . 0.0 112.308 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -67.08 -40.62 87.01 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.68 -16.95 60.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.48 -41.83 10.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.596 1.158 . . . . 0.0 113.591 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -144.01 166.35 25.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.783 1.633 . . . . 0.0 112.59 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -138.87 153.06 48.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.305 1.842 . . . . 0.0 111.726 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 C-N-CA 124.895 1.236 . . . . 0.0 113.203 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 CA-C-O 119.67 -0.517 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -60.48 162.11 18.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 124.215 3.277 . . . . 0.0 114.181 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.37 179.55 37.61 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.675 1.131 . . . . 0.0 113.696 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 154.21 37.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.938 0.895 . . . . 0.0 113.159 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.5 ttm -148.42 145.64 28.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.812 1.645 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -146.3 169.33 19.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.069 1.748 . . . . 0.0 110.433 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -56.85 139.36 77.64 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.47 1.108 . . . . 0.0 113.603 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -63.33 155.34 62.58 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.178 2.586 . . . . 0.0 113.904 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -141.77 124.51 16.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.428 1.491 . . . . 0.0 110.16 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -73.59 152.6 40.52 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.725 1.21 . . . . 0.0 112.974 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -154.53 160.3 41.45 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.488 1.115 . . . . 0.0 112.511 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -84.81 29.81 0.6 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.58 1.152 . . . . 0.0 113.262 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.06 -19.8 39.61 Favored Glycine 0 CA--C 1.539 1.576 0 O-C-N 120.537 -1.352 . . . . 0.0 115.838 -172.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -63.47 -26.9 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.521 1.16 . . . . 0.0 112.873 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.58 -24.38 62.75 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.11 -41.31 64.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 112.082 171.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.98 -32.01 68.73 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.277 -0.89 . . . . 0.0 112.918 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -78.32 -4.3 47.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.168 1.387 . . . . 0.0 113.946 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 C-N-CA 125.522 1.534 . . . . 0.0 113.738 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -59.23 154.51 45.84 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.248 3.299 . . . . 0.0 114.216 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.82 41.59 1.72 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.0 1.762 . . . . 0.0 114.647 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 28.6 t -70.1 -24.25 63.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.486 1.515 . . . . 0.0 113.879 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 54.5 tpp -149.44 142.13 24.55 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.85 1.66 . . . . 0.0 110.257 -172.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.1 166.83 22.31 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.058 2.943 . . . . 0.0 112.506 -7.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.99 151.45 73.81 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.769 1.627 . . . . 0.0 111.968 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -62.21 168.77 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.812 3.008 . . . . 0.0 113.782 168.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -64.59 148.59 50.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.422 1.089 . . . . 0.0 113.103 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -80.62 -3.77 51.69 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.402 1.481 . . . . 0.0 113.488 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -59.18 140.32 56.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.453 1.101 . . . . 0.0 112.845 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 57.07 18.52 4.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.606 1.962 . . . . 0.0 114.743 -173.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.46 -0.27 57.51 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.243 1.401 . . . . 0.0 115.756 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -59.36 -27.55 66.05 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.962 1.381 . . . . 0.0 113.285 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.69 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.155 1.382 . . . . 0.0 112.846 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -63.54 -49.32 73.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -66.39 -29.79 70.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.295 0.952 . . . . 0.0 113.228 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.43 -39.54 67.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.334 1.053 . . . . 0.0 112.396 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.19 -29.75 69.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.418 -0.801 . . . . 0.0 112.594 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.44 -27.09 63.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 118.27 -1.294 . . . . 0.0 113.942 -178.817 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.08 -31.28 46.12 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.625 2.883 . . . . 0.0 115.003 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.83 165.31 52.34 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.985 1.279 . . . . 0.0 114.336 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -152.87 143.18 22.51 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.841 1.256 . . . . 0.0 111.804 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 57.3 ttm -73.23 137.25 44.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.526 1.13 . . . . 0.0 111.853 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -76.34 -24.74 54.27 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -68.96 144.73 96.04 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.687 1.195 . . . . 0.0 112.19 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.65 -28.3 17.4 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.977 2.451 . . . . 0.0 113.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m 63.21 -52.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.13 2.572 . . . . 0.0 115.133 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -81.47 -4.01 54.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.908 1.683 . . . . 0.0 114.175 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m 58.72 27.61 16.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.96 1.704 . . . . 0.0 114.351 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -79.68 37.2 0.34 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.286 1.834 . . . . 0.0 113.459 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.3 -9.96 45.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.551 1.548 . . . . 0.0 115.259 -177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.21 -28.86 65.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.621 1.21 . . . . 0.0 112.377 171.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -79.79 -35.09 39.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.1 -40.56 71.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -85.29 -5.47 59.31 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.697 1.199 . . . . 0.0 114.191 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.3 144.23 50.99 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.966 1.306 . . . . 0.0 113.564 -174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 117.903 -1.498 . . . . 0.0 113.4 -178.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.29 149.24 90.31 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.177 3.251 . . . . 0.0 113.899 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.4 -13.55 83.45 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.127 1.346 . . . . 0.0 114.919 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 26.0 t -155.38 160.35 40.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.429 1.891 . . . . 0.0 110.547 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.0 ptm -146.29 142.23 28.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.492 1.117 . . . . 0.0 113.315 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -160.14 151.58 19.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.673 2.389 . . . . 0.0 109.903 171.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -79.76 123.8 83.74 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-O 117.898 -1.049 . . . . 0.0 111.222 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -67.52 163.86 33.23 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.768 2.979 . . . . 0.0 114.296 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.0 t -155.43 146.82 22.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.048 1.339 . . . . 0.0 111.605 168.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -160.47 147.29 15.66 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.991 1.316 . . . . 0.0 112.192 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -107.51 -2.82 20.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.839 1.656 . . . . 0.0 112.781 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -126.32 -7.81 6.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.918 1.687 . . . . 0.0 114.882 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.31 -21.56 62.22 Favored Glycine 0 N--CA 1.476 1.332 0 O-C-N 120.967 -1.083 . . . . 0.0 114.893 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -68.47 -24.68 64.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.934 1.294 . . . . 0.0 113.269 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.58 -35.64 79.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.138 0.975 . . . . 0.0 113.184 -172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -60.71 -48.3 82.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.32 -23.62 61.97 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.164 0.893 . . . . 0.0 112.986 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.46 -41.94 21.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.384 1.073 . . . . 0.0 113.459 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.41 -30.66 20.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.15 139.9 50.39 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.986 0.812 . . . . 0.0 112.272 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.456 1.503 . . . . 0.0 112.798 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 CA-C-O 118.457 -1.19 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -66.79 100.21 0.49 Allowed 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 123.664 2.909 . . . . 0.0 111.209 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.96 -140.61 46.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.49 0.566 . . . . 0.0 112.033 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.5 m -69.64 -19.78 63.61 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtt -85.43 161.65 19.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.472 1.509 . . . . 0.0 113.29 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -95.83 152.92 18.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.137 0.975 . . . . 0.0 110.964 162.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.04 137.73 92.19 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.644 1.178 . . . . 0.0 111.195 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.71 -27.95 31.34 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.478 2.119 . . . . 0.0 113.816 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -94.45 144.08 25.86 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.279 1.431 . . . . 0.0 111.869 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.1 p -157.11 156.08 32.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.376 1.07 . . . . 0.0 112.386 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.3 p -161.27 172.58 16.39 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.592 1.557 . . . . 0.0 111.655 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -66.13 -4.75 8.08 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.823 1.249 . . . . 0.0 114.248 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.78 -18.92 41.15 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.142 1.353 . . . . 0.0 115.092 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -59.1 -31.03 68.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.686 1.243 . . . . 0.0 112.648 172.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -77.7 -37.99 48.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.8 -41.21 19.41 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.51 -19.47 25.01 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -170.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -74.48 149.34 40.36 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.532 -0.73 . . . . 0.0 112.155 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.349 1.452 . . . . 0.0 112.722 179.687 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.79 160.73 48.62 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.966 3.111 . . . . 0.0 113.213 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.36 -160.1 15.08 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.608 1.099 . . . . 0.0 113.916 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 99.2 p -62.73 150.02 42.3 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.969 0.908 . . . . 0.0 112.792 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -71.24 -27.84 63.75 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -155.57 157.2 36.43 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.232 1.413 . . . . 0.0 111.687 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -65.09 156.57 80.35 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 111.857 173.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.56 141.97 98.11 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.465 2.776 . . . . 0.0 114.263 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 99.8 m -89.8 137.5 32.28 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.654 1.182 . . . . 0.0 110.252 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 73.3 m -86.65 155.2 20.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 128.593 2.757 . . . . 0.0 112.509 -7.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -65.41 -20.51 66.41 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -77.01 3.83 11.43 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.009 1.324 . . . . 0.0 114.075 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.87 -6.9 10.32 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.663 1.602 . . . . 0.0 115.967 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -58.11 -29.31 65.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.594 1.197 . . . . 0.0 112.527 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.11 -37.23 85.23 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.594 1.158 . . . . 0.0 112.844 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.39 -52.49 63.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.96 -29.66 69.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.4 1.0 . . . . 0.0 113.037 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.77 -33.7 76.2 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.289 -0.882 . . . . 0.0 112.799 173.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -77.8 -34.05 52.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.198 0.908 . . . . 0.0 112.948 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.74 -27.09 61.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.385 1.074 . . . . 0.0 113.782 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.342 0 C-N-CA 125.685 1.612 . . . . 0.0 114.359 -178.756 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.55 155.83 67.65 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.814 3.01 . . . . 0.0 112.732 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 178.91 34.45 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.828 1.204 . . . . 0.0 114.99 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -145.02 147.54 32.74 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.434 1.493 . . . . 0.0 111.977 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.7 mtt 60.41 178.23 0.1 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.814 2.046 . . . . 0.0 114.448 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -73.5 -10.36 59.64 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.5 123.63 85.0 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.699 1.2 . . . . 0.0 112.386 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.51 175.45 6.98 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.821 3.014 . . . . 0.0 113.293 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -73.42 38.04 0.09 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.585 1.554 . . . . 0.0 113.91 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.7 t -154.88 154.34 32.54 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.556 1.542 . . . . 0.0 112.599 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -81.58 -8.63 59.74 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.561 1.544 . . . . 0.0 114.301 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -145.88 -174.49 4.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.28 1.432 . . . . 0.0 111.808 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.01 -38.8 2.0 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.295 1.426 . . . . 0.0 113.537 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -60.95 -31.07 70.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.139 0.976 . . . . 0.0 112.2 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.83 -21.41 59.3 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.4 -42.63 16.78 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.273 1.029 . . . . 0.0 112.745 174.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.48 -23.21 53.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -172.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -72.34 -11.49 60.72 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.578 1.561 . . . . 0.0 114.545 176.685 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 CA-C-O 120.068 -0.296 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.5 153.59 65.4 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.052 3.168 . . . . 0.0 112.469 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.61 -16.3 71.19 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.093 0.854 . . . . 0.0 114.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 81.2 p -80.66 163.34 23.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.203 1.401 . . . . 0.0 112.88 176.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -150.08 161.58 42.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.998 1.719 . . . . 0.0 111.545 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -149.05 148.18 29.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.202 1.401 . . . . 0.0 111.564 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.27 131.62 77.78 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 124.892 1.277 . . . . 0.0 111.779 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.72 80.81 2.95 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.64 2.893 . . . . 0.0 110.578 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 58.6 p -72.45 -20.61 61.37 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -74.92 144.86 43.08 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.462 1.105 . . . . 0.0 113.368 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 84.9 p -149.91 132.29 15.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.793 1.637 . . . . 0.0 110.238 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.07 23.24 1.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.317 1.847 . . . . 0.0 114.826 -169.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.09 -20.91 60.93 Favored Glycine 0 N--CA 1.475 1.269 0 O-C-N 120.536 -1.352 . . . . 0.0 114.698 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -60.29 -32.13 70.91 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.497 -1.002 . . . . 0.0 112.179 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.77 -44.48 77.35 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 111.821 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -56.67 -42.7 79.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -85.49 -33.57 21.8 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 tp -81.23 -33.36 32.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -171.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -100.19 -13.33 18.96 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.75 155.93 38.15 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.206 0.912 . . . . 0.0 113.068 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.146 0 C-N-CA 125.781 1.658 . . . . 0.0 113.328 177.113 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.175 -0.792 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.41 154.84 44.72 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.129 3.22 . . . . 0.0 114.246 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.5 -143.88 4.85 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.946 1.26 . . . . 0.0 113.442 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -74.51 28.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.683 1.993 . . . . 0.0 113.993 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.3 ptp -149.63 162.99 39.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.823 2.049 . . . . 0.0 111.859 -173.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -63.94 152.45 39.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.938 0.895 . . . . 0.0 112.507 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -62.16 134.72 94.66 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.609 1.164 . . . . 0.0 111.598 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.92 177.77 0.94 Allowed 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.99 3.127 . . . . 0.0 113.807 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.4 p -69.68 -11.98 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -72.23 57.45 0.36 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.289 2.236 . . . . 0.0 113.162 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -67.32 -16.49 64.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.42 -4.05 10.11 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -171.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -22.37 46.89 Favored Glycine 0 CA--C 1.54 1.633 0 CA-C-N 119.682 1.128 . . . . 0.0 115.46 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -65.44 -27.86 68.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.808 1.304 . . . . 0.0 113.263 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -72.8 -21.84 60.92 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.84 -36.13 57.05 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.714 0.806 . . . . 0.0 112.591 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -69.29 -28.46 66.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -78.88 152.25 31.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.518 1.127 . . . . 0.0 112.097 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.431 0 C-N-CA 125.363 1.459 . . . . 0.0 113.188 -176.198 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.84 -15.44 23.82 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.163 3.242 . . . . 0.0 114.954 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.3 -124.68 11.27 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.029 0.832 . . . . 0.0 112.058 -174.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 68.8 m -136.31 152.12 50.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.701 1.601 . . . . 0.0 111.645 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -62.09 137.94 58.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.828 0.851 . . . . 0.0 112.314 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.64 147.66 52.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.43 134.29 95.94 Favored Pre-proline 0 N--CA 1.476 0.841 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 168.41 23.34 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.272 3.315 . . . . 0.0 111.775 172.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -153.35 154.47 34.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.681 1.192 . . . . 0.0 111.987 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.8 t 61.5 6.36 1.46 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.813 2.045 . . . . 0.0 116.311 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -156.92 152.69 27.04 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.13 1.372 . . . . 0.0 112.828 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.47 -0.47 37.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.308 1.443 . . . . 0.0 113.866 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.56 -13.17 58.21 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.545 1.069 . . . . 0.0 115.103 -174.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -59.27 -28.33 66.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.486 1.114 . . . . 0.0 112.595 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.64 -38.8 92.47 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.731 1.212 . . . . 0.0 112.669 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -63.03 -50.23 71.5 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.02 -28.55 68.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.619 1.1 . . . . 0.0 113.259 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.84 -37.38 76.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.306 -0.871 . . . . 0.0 111.974 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.67 -29.75 64.94 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.289 -0.882 . . . . 0.0 112.661 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.09 -17.8 61.97 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 118.365 -1.242 . . . . 0.0 113.794 -179.215 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.0 147.98 81.01 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.107 3.205 . . . . 0.0 112.804 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.15 -10.12 81.0 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.58 1.086 . . . . 0.0 115.192 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -68.6 132.23 46.57 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.496 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 ptp -85.03 160.41 20.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.979 1.312 . . . . 0.0 113.181 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -76.22 65.91 2.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.306 1.442 . . . . 0.0 111.018 170.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.61 125.5 84.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 112.382 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -83.81 67.69 7.03 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 124.421 3.414 . . . . 0.0 112.494 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -134.93 151.4 50.83 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.869 1.268 . . . . 0.0 113.003 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -154.65 151.18 28.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.713 1.605 . . . . 0.0 112.107 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -76.81 -9.73 58.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.535 1.534 . . . . 0.0 113.768 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -121.49 177.98 4.99 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.49 1.916 . . . . 0.0 112.552 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.85 -39.16 2.95 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.941 1.734 . . . . 0.0 114.32 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -64.71 -25.54 67.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.583 1.153 . . . . 0.0 113.109 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -66.42 -27.72 68.06 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.0 -38.61 66.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.159 0.983 . . . . 0.0 112.839 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -71.23 -30.03 65.84 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.838 0.745 . . . . 0.0 112.42 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.9 -37.0 72.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.926 0.89 . . . . 0.0 113.381 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.354 0 C-N-CA 125.991 1.758 . . . . 0.0 114.166 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.22 130.72 27.9 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.477 2.784 . . . . 0.0 111.88 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.68 0.19 58.29 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.678 1.132 . . . . 0.0 115.896 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 16.4 m -73.97 -32.92 63.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.078 1.439 . . . . 0.0 113.486 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 17.0 tpt -82.53 146.01 29.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.653 1.181 . . . . 0.0 112.216 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.63 150.03 49.63 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.962 1.305 . . . . 0.0 112.902 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tttm 52.42 68.51 3.05 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 126.974 2.11 . . . . 0.0 113.866 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.06 -15.8 51.31 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.558 2.172 . . . . 0.0 114.297 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 63.3 p -65.4 -14.53 61.09 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.768 1.227 . . . . 0.0 113.554 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 93.9 p -75.02 -3.88 35.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.333 1.453 . . . . 0.0 114.693 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -59.43 150.61 26.07 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.985 1.314 . . . . 0.0 114.269 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -80.44 -166.39 1.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.833 1.653 . . . . 0.0 112.67 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.54 -41.47 2.15 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.4 1.952 . . . . 0.0 113.303 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -65.07 -28.42 69.45 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.983 0.913 . . . . 0.0 112.504 172.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.36 -39.88 95.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.135 1.774 . . . . 0.0 112.52 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -63.61 -50.07 70.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.42 -16.6 60.33 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.98 -35.75 42.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.483 1.113 . . . . 0.0 112.434 167.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.49 -36.82 60.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.298 -0.877 . . . . 0.0 112.937 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -69.31 144.44 53.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.239 1.016 . . . . 0.0 112.441 173.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 C-N-CA 125.736 1.636 . . . . 0.0 113.463 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.401 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.41 157.54 59.85 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.679 2.919 . . . . 0.0 113.12 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.63 -153.67 12.53 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.451 1.5 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -63.0 145.18 55.99 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.657 0.783 . . . . 0.0 112.347 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 90.2 mtp -74.22 -9.01 58.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 113.324 170.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 59.69 -174.3 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.325 2.25 . . . . 0.0 114.037 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -65.29 156.67 80.75 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.263 1.425 . . . . 0.0 112.321 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -60.76 -20.05 64.09 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.593 2.862 . . . . 0.0 115.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.3 m -78.81 84.46 4.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.238 1.015 . . . . 0.0 110.01 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -129.64 0.82 4.95 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.548 1.539 . . . . 0.0 114.253 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t 55.92 -152.76 0.36 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.986 1.714 . . . . 0.0 113.188 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -67.01 -6.31 16.48 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.76 1.624 . . . . 0.0 114.672 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.0 -5.24 52.11 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.837 1.684 . . . . 0.0 115.464 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -54.88 -28.51 50.85 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.83 1.315 . . . . 0.0 113.435 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.17 -30.57 65.11 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.91 -33.34 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.928 -1.107 . . . . 0.0 112.953 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.77 -12.42 60.7 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -66.96 147.31 53.4 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.232 0.924 . . . . 0.0 113.349 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 C-N-CA 125.505 1.526 . . . . 0.0 113.979 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.385 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.93 167.94 24.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.853 3.036 . . . . 0.0 113.377 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.49 88.09 1.11 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.684 1.611 . . . . 0.0 113.194 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.5 m -148.9 140.42 23.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.672 1.589 . . . . 0.0 111.148 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -154.23 121.83 5.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.809 1.243 . . . . 0.0 110.651 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -101.79 120.98 41.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.785 1.234 . . . . 0.0 111.727 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -76.67 154.89 83.51 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 124.174 0.99 . . . . 0.0 110.613 159.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.5 148.43 92.53 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.769 2.313 . . . . 0.0 112.094 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 82.5 p -123.08 23.06 9.37 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.022 1.329 . . . . 0.0 113.561 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.6 p -55.49 135.29 50.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.175 1.39 . . . . 0.0 113.799 -172.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.3 m 54.77 19.34 2.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.594 1.957 . . . . 0.0 115.5 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 58.12 8.5 0.79 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.025 2.13 . . . . 0.0 115.232 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -12.01 81.6 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.133 -0.979 . . . . 0.0 114.436 -174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -57.0 -30.95 64.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.839 1.656 . . . . 0.0 114.095 -176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -64.6 -31.27 72.41 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.401 1.081 . . . . 0.0 113.701 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.88 -52.4 64.28 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.14 -26.01 67.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.041 1.291 . . . . 0.0 113.407 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.53 -35.42 70.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.396 1.079 . . . . 0.0 112.843 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.71 -25.49 24.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.35 145.18 54.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.123 0.969 . . . . 0.0 113.201 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 125.927 1.727 . . . . 0.0 113.462 -179.624 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 CA-C-O 118.899 -0.945 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.55 162.45 40.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.084 3.189 . . . . 0.0 113.18 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.25 -0.71 62.21 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.898 1.237 . . . . 0.0 115.545 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t -147.5 148.18 30.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 110.909 177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.8 -16.03 61.17 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 56.99 -167.66 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.05 1.74 . . . . 0.0 113.026 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -67.02 145.48 98.89 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.129 0.972 . . . . 0.0 111.776 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.47 145.68 71.81 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.585 2.857 . . . . 0.0 112.646 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -157.46 157.34 33.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.016 1.327 . . . . 0.0 111.634 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 m 58.72 -174.03 0.09 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.157 1.783 . . . . 0.0 114.572 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 59.1 25.93 14.51 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.681 1.593 . . . . 0.0 114.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.35 30.44 0.41 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.134 2.173 . . . . 0.0 113.465 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 7.54 10.86 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.342 1.925 . . . . 0.0 117.082 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -57.09 -24.79 56.53 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.614 1.207 . . . . 0.0 112.908 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -72.51 -17.78 61.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mp -79.9 -39.82 29.59 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.598 1.159 . . . . 0.0 112.67 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -74.44 -39.02 62.83 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.804 0.842 . . . . 0.0 113.211 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -76.64 150.7 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.596 1.158 . . . . 0.0 112.775 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 C-N-CA 125.035 1.302 . . . . 0.0 112.833 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -68.2 160.07 50.45 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.241 3.294 . . . . 0.0 112.926 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.43 -156.78 13.79 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.105 1.336 . . . . 0.0 114.209 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.0 t -62.68 149.04 44.68 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.429 1.092 . . . . 0.0 112.401 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 44.0 tpp -64.12 129.5 40.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.518 1.127 . . . . 0.0 112.538 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.78 -25.54 53.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.308 1.043 . . . . 0.0 113.52 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.59 144.95 95.64 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 124.788 1.235 . . . . 0.0 111.984 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.09 148.35 75.19 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.302 2.668 . . . . 0.0 113.256 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 38.7 p -137.42 117.8 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.819 1.648 . . . . 0.0 109.484 171.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 14.5 m 58.25 10.37 1.26 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -73.4 154.07 40.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.144 1.377 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 60.41 -0.69 0.25 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.935 2.094 . . . . 0.0 115.736 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.5 -51.75 1.47 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 126.791 2.138 . . . . 0.0 114.644 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -67.73 -27.59 66.93 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.688 1.195 . . . . 0.0 113.61 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.57 -37.12 86.47 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.441 1.096 . . . . 0.0 112.891 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.58 -41.55 81.36 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.25 -43.31 13.06 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.65 -39.51 70.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -84.4 -21.2 30.89 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.075 0.852 . . . . 0.0 113.032 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.41 -27.22 56.2 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.406 1.083 . . . . 0.0 113.535 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.357 1.456 . . . . 0.0 113.902 179.509 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 119.59 -0.561 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -59.17 160.19 19.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.42 3.413 . . . . 0.0 114.584 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.91 16.59 78.72 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.043 0.83 . . . . 0.0 115.173 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -149.52 136.52 19.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.543 1.537 . . . . 0.0 110.922 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.7 tpp -158.63 146.06 17.8 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.613 1.565 . . . . 0.0 110.527 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.62 -25.79 62.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.24 148.23 96.03 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.422 1.489 . . . . 0.0 111.93 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.89 158.34 57.77 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.653 2.902 . . . . 0.0 112.976 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -75.1 -21.57 58.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.662 1.185 . . . . 0.0 113.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -143.49 160.48 40.53 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.665 1.586 . . . . 0.0 111.88 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -131.25 150.66 52.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 128.969 2.908 . . . . 0.0 112.22 5.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -84.41 23.03 1.16 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.998 1.719 . . . . 0.0 113.792 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.71 -2.57 17.0 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.679 1.609 . . . . 0.0 115.791 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -56.32 -29.3 61.1 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.136 1.468 . . . . 0.0 113.053 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.02 -39.29 56.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.32 -39.5 89.32 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -70.55 -21.62 62.69 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.16 -15.43 36.1 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.229 1.412 . . . . 0.0 113.826 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 0 C-N-CA 126.17 1.843 . . . . 0.0 113.79 176.582 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.85 141.35 64.82 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.071 3.181 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.96 -1.08 87.07 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.102 1.334 . . . . 0.0 116.265 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 138.95 58.7 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.872 1.336 . . . . 0.0 112.676 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.6 -9.26 58.37 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.176 1.39 . . . . 0.0 114.56 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -130.25 137.62 50.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.135 1.774 . . . . 0.0 109.961 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -132.74 146.19 60.35 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 124.79 1.236 . . . . 0.0 111.606 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -66.01 -19.1 57.9 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.645 2.897 . . . . 0.0 114.135 -175.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 54.3 p -63.77 -20.96 66.17 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.674 1.19 . . . . 0.0 113.691 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.64 -11.88 44.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.68 1.192 . . . . 0.0 113.768 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -84.21 160.33 20.83 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.5 1.52 . . . . 0.0 112.686 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -81.66 16.18 1.86 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.729 1.212 . . . . 0.0 113.935 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.01 -10.43 26.55 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.369 1.461 . . . . 0.0 115.189 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -56.61 -28.55 60.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.702 1.201 . . . . 0.0 112.883 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -60.53 -37.58 81.67 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.975 1.31 . . . . 0.0 113.213 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.83 -44.96 91.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.19 -24.71 61.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.36 -41.08 41.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.704 0.802 . . . . 0.0 112.877 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.64 -28.53 36.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.65 156.49 39.4 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.192 -0.942 . . . . 0.0 113.46 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.044 1.307 . . . . 0.0 112.405 179.481 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 CA-C-O 119.196 -0.78 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.28 -33.14 72.13 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.652 2.901 . . . . 0.0 114.421 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 146.82 23.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.625 1.107 . . . . 0.0 113.464 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.8 p -155.34 163.4 40.16 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.748 1.619 . . . . 0.0 112.349 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 41.0 ttp -128.61 2.91 5.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.385 1.474 . . . . 0.0 113.693 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.91 144.1 54.28 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.385 1.474 . . . . 0.0 112.419 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 150.98 80.37 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.626 1.17 . . . . 0.0 110.876 170.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.41 120.04 7.24 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.324 2.683 . . . . 0.0 111.787 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 166.86 26.2 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.753 1.621 . . . . 0.0 111.862 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -73.26 16.36 0.18 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.871 2.068 . . . . 0.0 115.373 -174.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -77.86 -8.41 58.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.485 1.514 . . . . 0.0 114.152 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.19 -175.56 2.8 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.069 1.748 . . . . 0.0 113.221 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.91 -48.83 2.76 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.858 1.694 . . . . 0.0 113.548 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -64.34 -23.64 67.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.505 1.122 . . . . 0.0 113.02 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.21 -30.71 69.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.01 -32.05 71.31 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.812 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.21 -30.96 68.19 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.384 -0.823 . . . . 0.0 112.7 170.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -76.09 -32.23 59.11 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.205 0 CA-C-O 118.422 -1.21 . . . . 0.0 113.893 179.494 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.63 164.69 32.11 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 124.083 3.189 . . . . 0.0 112.571 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.77 129.7 49.91 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.685 0.659 . . . . 0.0 112.662 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m 53.38 24.57 3.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.863 1.665 . . . . 0.0 114.338 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . 0.257 27.8 ptm 46.42 33.42 1.91 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.168 2.187 . . . . 0.0 114.105 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.41 125.75 25.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.416 1.086 . . . . 0.0 112.995 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -147.57 159.85 40.28 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 127.237 2.215 . . . . 0.0 110.621 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.74 151.98 52.28 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.972 3.115 . . . . 0.0 113.796 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.6 p -76.92 -21.69 54.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.7 1.2 . . . . 0.0 113.731 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.5 m -69.53 132.53 46.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.523 1.129 . . . . 0.0 111.731 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -160.32 144.57 14.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.847 1.259 . . . . 0.0 111.941 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -81.0 -6.68 59.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 170.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.01 -8.15 60.81 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -59.38 -29.13 67.48 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.176 1.488 . . . . 0.0 112.483 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.11 -35.95 81.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.477 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.97 -49.55 77.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -79.44 -16.98 55.22 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.69 -37.23 42.23 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.48 1.112 . . . . 0.0 112.136 168.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.07 -41.73 41.12 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.17 161.66 28.03 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.385 0 C-N-CA 125.759 1.647 . . . . 0.0 113.71 -178.591 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 CA-C-O 118.561 -1.133 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.27 144.3 95.21 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.639 2.893 . . . . 0.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.07 -143.29 45.91 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.337 0.97 . . . . 0.0 113.345 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -70.51 -20.08 62.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.1 tmm? 60.56 -60.37 0.07 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 129.266 3.027 . . . . 0.0 115.636 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -80.87 10.38 5.11 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.779 1.632 . . . . 0.0 114.288 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.1 138.45 94.3 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.05 1.34 . . . . 0.0 111.767 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.03 150.9 61.68 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.45 2.767 . . . . 0.0 114.248 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 m 54.78 51.52 13.62 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.672 1.589 . . . . 0.0 112.007 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -68.67 166.56 17.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.35 1.46 . . . . 0.0 113.538 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -64.57 -13.23 52.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -125.99 -7.9 6.6 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.322 1.449 . . . . 0.0 114.178 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.37 -27.98 64.71 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.079 -1.013 . . . . 0.0 113.758 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -63.94 -25.14 68.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.085 0.954 . . . . 0.0 113.146 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.28 -39.3 54.64 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.87 -38.49 86.43 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.348 1.059 . . . . 0.0 113.776 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.05 -12.56 60.27 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -113.59 8.07 17.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.157 1.783 . . . . 0.0 113.451 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 C-N-CA 125.672 1.606 . . . . 0.0 114.118 178.867 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.369 -0.292 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.2 -12.4 21.13 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.135 3.223 . . . . 0.0 114.798 -176.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.71 -111.92 3.64 Favored Glycine 0 CA--C 1.535 1.3 0 O-C-N 121.363 -0.836 . . . . 0.0 111.175 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.3 t -148.44 144.79 27.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.438 1.095 . . . . 0.0 111.921 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.4 mmt -84.74 4.49 32.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.063 1.345 . . . . 0.0 113.643 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -60.47 147.94 39.34 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.948 1.299 . . . . 0.0 112.469 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -133.89 154.82 80.58 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 126.571 1.948 . . . . 0.0 111.417 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.84 153.0 79.4 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 123.438 2.759 . . . . 0.0 112.959 -176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.1 t -65.43 -30.27 71.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.647 1.179 . . . . 0.0 112.98 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -108.98 118.3 36.45 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.7 1.2 . . . . 0.0 110.2 168.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -77.48 -16.06 58.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.255 1.022 . . . . 0.0 113.651 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.79 3.77 18.49 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.88 56.79 Favored Glycine 0 CA--C 1.543 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 114.87 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -74.42 -23.34 58.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.363 1.082 . . . . 0.0 113.912 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.23 -49.3 76.29 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.594 1.158 . . . . 0.0 111.545 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.95 -51.8 65.49 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.36 -21.94 64.69 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.088 0.858 . . . . 0.0 113.207 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mp -76.13 -40.64 52.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.519 1.128 . . . . 0.0 112.603 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -75.14 -32.32 61.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.58 144.57 56.89 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.767 1.227 . . . . 0.0 112.399 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.797 1.665 . . . . 0.0 113.152 178.196 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.08 143.46 99.55 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.165 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.62 139.95 18.42 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.653 1.121 . . . . 0.0 113.711 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.8 p -83.25 -13.55 55.04 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.085 1.354 . . . . 0.0 114.445 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.05 170.89 11.89 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.622 1.569 . . . . 0.0 113.663 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -67.61 -13.43 62.07 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.267 1.427 . . . . 0.0 114.181 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 66.7 148.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 129.567 3.147 . . . . 0.0 115.575 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.34 156.65 54.7 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.194 2.596 . . . . 0.0 113.503 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.3 p -73.35 -25.22 60.51 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.643 0.777 . . . . 0.0 112.731 168.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 t -156.66 146.23 20.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.917 2.087 . . . . 0.0 110.479 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -155.82 148.35 23.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.51 1.524 . . . . 0.0 111.524 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.69 -14.88 56.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.682 1.193 . . . . 0.0 113.115 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.47 -3.31 19.12 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.512 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -54.88 -31.13 59.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.165 1.482 . . . . 0.0 112.965 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.09 -29.66 63.1 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mp -71.29 -37.42 71.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.388 0.994 . . . . 0.0 113.039 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -70.89 -32.55 69.54 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -93.56 -19.8 20.84 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.358 0 C-N-CA 125.881 1.705 . . . . 0.0 113.94 177.866 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.495 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 119.778 -0.457 . . . . 0.0 112.153 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -60.55 -29.82 89.36 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.663 2.909 . . . . 0.0 114.891 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.58 -4.6 76.2 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.593 1.568 . . . . 0.0 115.758 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 49.8 m -68.47 131.07 44.64 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.585 1.192 . . . . 0.0 113.093 -174.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 94.2 mtp -78.34 174.47 11.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.267 1.427 . . . . 0.0 112.433 174.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -60.02 159.13 9.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.477 1.111 . . . . 0.0 112.478 169.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.7 142.21 98.0 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.335 1.054 . . . . 0.0 112.049 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.33 164.52 34.98 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.205 3.27 . . . . 0.0 112.185 173.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 57.1 m -78.91 82.61 5.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.307 1.043 . . . . 0.0 110.172 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 38.1 m -137.16 10.36 3.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.208 1.403 . . . . 0.0 113.943 -170.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -67.67 153.85 42.8 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.661 1.584 . . . . 0.0 113.403 -175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.0 -11.05 34.53 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.536 1.534 . . . . 0.0 114.896 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.46 -18.51 30.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.136 1.35 . . . . 0.0 115.312 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -58.06 -32.92 68.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.088 1.444 . . . . 0.0 111.933 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.09 -43.26 87.83 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.134 1.373 . . . . 0.0 111.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.11 -51.42 69.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.35 -25.07 64.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.458 1.027 . . . . 0.0 113.489 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.24 -39.96 68.08 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.043 0.937 . . . . 0.0 112.084 172.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.57 -33.29 54.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.03 141.97 57.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.292 1.437 . . . . 0.0 112.65 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.309 0 C-N-CA 125.231 1.396 . . . . 0.0 112.808 -179.921 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 CA-C-O 119.459 -0.634 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.05 152.94 68.01 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.18 3.253 . . . . 0.0 113.045 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.78 -159.88 50.46 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.417 1.008 . . . . 0.0 114.528 177.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 m 61.71 -16.94 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 118.083 2.623 . . . . 0.0 118.083 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.9 ptm -65.16 132.76 49.97 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.689 1.131 . . . . 0.0 112.06 177.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -150.78 10.61 0.64 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -147.1 138.96 13.62 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.737 1.615 . . . . 0.0 110.458 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -58.36 142.9 98.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.253 2.635 . . . . 0.0 113.463 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.0 m 60.62 -65.11 0.06 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.303 2.241 . . . . 0.0 114.546 -172.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -161.74 151.19 16.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.789 1.635 . . . . 0.0 111.637 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -67.42 139.3 57.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.99 1.316 . . . . 0.0 112.456 176.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -145.96 10.58 1.18 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -170.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.18 -7.04 70.64 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -170.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -60.74 -29.85 69.63 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.854 1.327 . . . . 0.0 113.686 -174.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.8 -29.21 66.46 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.95 -35.1 76.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.854 1.261 . . . . 0.0 113.877 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -105.29 -18.8 14.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.74 157.43 37.93 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.975 1.261 . . . . 0.0 113.514 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.115 0 C-N-CA 125.521 1.534 . . . . 0.0 112.775 -179.778 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.55 149.24 79.66 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.698 2.932 . . . . 0.0 112.681 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.97 -17.85 70.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.059 0.838 . . . . 0.0 115.168 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 32.9 t -69.46 -32.21 70.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 172.201 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 58.4 mtt 58.96 164.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.761 2.424 . . . . 0.0 115.655 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.27 131.99 46.32 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.075 -1.015 . . . . 0.0 111.352 176.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.17 149.7 50.53 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.696 1.199 . . . . 0.0 112.106 -176.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.94 146.09 81.77 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.97 2.447 . . . . 0.0 112.005 173.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -76.94 135.8 38.77 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.618 0.767 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -63.04 149.37 45.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.519 1.127 . . . . 0.0 113.115 178.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -20.31 65.57 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -173.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -112.06 -18.69 12.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.365 1.466 . . . . 0.0 114.016 170.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -30.23 77.42 Favored Glycine 0 N--CA 1.476 1.328 0 O-C-N 120.912 -1.118 . . . . 0.0 113.771 -172.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -67.02 -26.08 66.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.738 1.215 . . . . 0.0 113.518 174.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.87 -39.09 80.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.887 0.875 . . . . 0.0 111.817 -172.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -80.96 -34.73 32.92 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 174.12 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -76.0 -42.77 47.1 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -168.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.59 143.78 40.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.973 0.909 . . . . 0.0 112.74 177.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.235 1.874 . . . . 0.0 112.6 178.066 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-O 119.01 -0.883 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.04 168.76 26.37 Favored 'Cis proline' 0 C--N 1.354 0.849 0 CA-C-N 119.568 1.684 . . . . 0.0 114.911 -0.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.1 161.42 33.28 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.866 1.222 . . . . 0.0 112.896 178.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -81.19 66.29 6.67 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.066 1.346 . . . . 0.0 112.489 -178.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.04 126.85 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.052 0.941 . . . . 0.0 111.385 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -82.91 54.38 2.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.339 1.456 . . . . 0.0 112.911 -179.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.24 134.22 94.6 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.848 1.259 . . . . 0.0 110.9 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.45 101.79 0.91 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.435 2.757 . . . . 0.0 111.881 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -80.83 -20.27 42.8 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.6 m -60.97 143.87 54.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.573 1.549 . . . . 0.0 113.766 -176.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -75.46 166.15 24.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.238 1.015 . . . . 0.0 113.01 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.07 -2.49 21.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.232 1.413 . . . . 0.0 114.367 173.058 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -22.22 55.9 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 120.864 -1.148 . . . . 0.0 115.233 -171.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -63.04 -29.62 70.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.283 1.041 . . . . 0.0 113.208 173.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.37 -29.04 59.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.44 -32.51 73.42 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.557 1.071 . . . . 0.0 113.251 172.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.38 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 176.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.16 -7.74 59.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.399 1.08 . . . . 0.0 113.599 176.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.514 1.53 . . . . 0.0 113.786 -178.836 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.09 -17.99 45.7 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.992 3.128 . . . . 0.0 114.633 -173.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.36 -6.65 86.64 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.546 1.07 . . . . 0.0 115.365 174.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -74.22 163.36 27.93 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.993 1.396 . . . . 0.0 113.077 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 78.7 mtp 63.49 157.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.093 2.557 . . . . 0.0 115.596 -178.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.05 137.79 47.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.26 -0.9 . . . . 0.0 110.671 172.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.02 144.04 36.55 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.348 1.459 . . . . 0.0 111.109 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.01 145.08 54.64 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.57 2.847 . . . . 0.0 112.384 -177.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 79.3 p -79.38 -22.31 44.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.001 0.921 . . . . 0.0 113.394 174.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 39.3 m 61.3 159.06 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.483 2.313 . . . . 0.0 115.746 -175.561 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 26.1 m -68.55 -18.58 64.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.73 -45.27 68.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.858 0.863 . . . . 0.0 112.789 -178.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.96 -45.2 0.7 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.813 2.149 . . . . 0.0 116.141 176.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -66.2 -26.75 67.54 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.813 1.245 . . . . 0.0 113.755 -171.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -65.01 -38.93 92.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.395 1.078 . . . . 0.0 113.406 -173.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -35.39 71.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -87.27 -37.02 17.58 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 113.361 171.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.52 -34.62 77.48 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -175.063 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.22 -12.36 61.6 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.805 1.242 . . . . 0.0 113.591 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -77.51 -15.87 59.03 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.259 0 C-N-CA 125.143 1.354 . . . . 0.0 113.306 -179.114 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 119.851 -0.416 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.1 155.61 54.95 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.275 3.317 . . . . 0.0 114.159 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.07 158.6 44.47 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.56 1.076 . . . . 0.0 113.524 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 56.97 32.56 21.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.522 . . . . 0.0 114.953 175.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 35.3 mmt -74.87 155.82 37.1 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.868 -1.145 . . . . 0.0 112.308 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.95 161.94 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.808 1.643 . . . . 0.0 112.474 -176.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.22 158.04 74.12 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 113.364 176.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.75 147.7 86.84 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.561 2.84 . . . . 0.0 114.05 177.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -156.48 168.43 27.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.27 1.828 . . . . 0.0 110.823 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -63.85 116.92 6.25 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.143 0.977 . . . . 0.0 111.513 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 t -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.8 0.84 . . . . 0.0 113.163 -171.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -107.05 18.4 21.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.831 1.253 . . . . 0.0 113.742 -178.188 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -16.21 37.3 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.159 0.885 . . . . 0.0 114.798 176.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.604 1.162 . . . . 0.0 113.172 174.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.83 -22.62 65.14 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.07 -40.77 62.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.006 0.922 . . . . 0.0 111.64 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.86 -15.78 62.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 175.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -72.02 -11.31 60.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 167.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.427 0 C-N-CA 125.565 1.555 . . . . 0.0 114.065 178.101 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 120.028 -0.318 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -74.41 -10.51 22.25 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.135 3.223 . . . . 0.0 115.45 -177.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 -99.1 2.16 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.123 -0.986 . . . . 0.0 112.229 -176.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t 61.76 175.32 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.983 1.713 . . . . 0.0 113.846 -171.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.3 ttt -63.03 142.52 58.35 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.697 1.199 . . . . 0.0 111.171 174.394 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -65.36 146.15 55.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.882 1.273 . . . . 0.0 112.715 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -141.14 149.9 56.99 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.166 1.786 . . . . 0.0 111.183 -172.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.45 157.24 62.7 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.37 2.713 . . . . 0.0 113.006 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 84.8 m -72.03 -40.7 68.24 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.812 0.845 . . . . 0.0 112.488 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m 49.44 51.03 17.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.874 1.67 . . . . 0.0 114.388 171.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.1 t -138.92 145.86 40.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.177 1.391 . . . . 0.0 112.774 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.89 6.84 8.22 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.487 1.515 . . . . 0.0 113.271 175.031 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -5.26 29.6 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.519 1.533 . . . . 0.0 116.294 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -55.81 -27.16 49.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.761 1.28 . . . . 0.0 113.154 173.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.24 -34.63 75.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.687 1.595 . . . . 0.0 113.073 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.51 -49.81 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.97 -22.91 64.08 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.37 -41.62 21.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.546 1.138 . . . . 0.0 113.127 175.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.46 -31.34 42.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.137 0.975 . . . . 0.0 113.196 -178.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -68.77 142.02 55.05 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.964 0.906 . . . . 0.0 112.463 178.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.309 0 C-N-CA 125.451 1.5 . . . . 0.0 113.294 -177.45 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.982 -0.343 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -66.96 -17.34 51.39 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.088 3.192 . . . . 0.0 115.732 -175.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.99 9.62 86.8 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.112 0.863 . . . . 0.0 114.138 -174.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -153.75 166.36 33.1 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.96 2.104 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.5 mtm -60.96 151.62 29.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.441 1.096 . . . . 0.0 112.309 178.311 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -143.96 152.97 41.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.304 1.042 . . . . 0.0 112.045 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -85.14 164.14 42.57 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.676 1.59 . . . . 0.0 112.41 173.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -72.03 -21.24 24.39 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.623 2.215 . . . . 0.0 115.892 -172.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -135.72 158.22 44.93 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.417 1.487 . . . . 0.0 112.438 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -66.81 -19.95 65.84 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 t -152.39 156.24 39.14 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.659 1.583 . . . . 0.0 110.586 178.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -142.77 177.21 8.48 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.761 1.625 . . . . 0.0 112.283 -178.132 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.04 -34.89 1.92 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.2 1.381 . . . . 0.0 114.265 -176.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.84 -25.47 66.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.234 1.414 . . . . 0.0 112.444 172.076 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -80.02 -21.74 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.42 -39.51 53.33 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.491 171.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.46 -31.11 29.58 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -72.56 147.24 46.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.37 0.986 . . . . 0.0 113.294 -177.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 C-N-CA 125.659 1.6 . . . . 0.0 113.846 179.238 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.744 -0.476 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -68.79 159.7 52.68 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 124.077 3.185 . . . . 0.0 113.227 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.44 169.65 38.8 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.884 1.23 . . . . 0.0 113.439 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -156.02 165.86 35.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.377 1.471 . . . . 0.0 113.202 178.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 93.1 mtp -84.31 7.21 20.11 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.074 1.35 . . . . 0.0 113.852 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.33 119.79 9.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.669 1.187 . . . . 0.0 112.606 -175.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -83.19 135.15 44.8 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.054 1.342 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -74.51 -20.43 18.12 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.197 2.598 . . . . 0.0 114.38 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.1 m -63.76 139.91 58.82 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.338 1.455 . . . . 0.0 112.55 -177.128 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -68.95 148.0 50.8 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.153 0.981 . . . . 0.0 113.276 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -74.77 -7.43 53.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.229 1.412 . . . . 0.0 114.46 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.67 9.18 2.41 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -174.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.79 -12.36 27.72 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.734 1.159 . . . . 0.0 115.15 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -57.85 -27.69 63.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.882 1.273 . . . . 0.0 112.379 172.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.18 -40.85 95.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.786 1.234 . . . . 0.0 112.549 -178.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.43 -42.28 83.41 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.53 -32.29 62.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 173.063 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.18 -36.34 83.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.103 0.961 . . . . 0.0 113.33 -177.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.95 -20.32 64.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.055 . . . . 0.0 113.616 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -88.91 -6.47 57.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.888 1.275 . . . . 0.0 113.281 178.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.722 1.63 . . . . 0.0 113.791 177.229 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -59.08 155.75 37.81 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.994 3.13 . . . . 0.0 114.1 -178.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.61 147.5 50.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.84 0.733 . . . . 0.0 113.385 176.572 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -79.46 76.99 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.716 1.206 . . . . 0.0 111.374 179.284 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt 52.21 -89.76 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.135 2.574 . . . . 0.0 114.008 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.94 -28.93 64.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.322 1.049 . . . . 0.0 112.745 177.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -88.6 140.25 29.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 111.752 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.7 177.12 1.03 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.162 3.242 . . . . 0.0 114.201 169.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 t -61.63 151.56 33.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.253 1.021 . . . . 0.0 111.886 168.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t 57.18 -159.45 0.25 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.607 1.563 . . . . 0.0 113.15 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -149.66 133.2 16.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.26 1.424 . . . . 0.0 111.794 178.109 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -158.05 -173.81 4.53 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.106 1.762 . . . . 0.0 111.386 -178.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 -10.31 67.14 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 115.34 174.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -61.28 -30.7 70.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.789 1.295 . . . . 0.0 112.122 174.108 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.31 -35.56 73.75 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.03 -41.76 86.03 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -177.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -72.94 -19.89 61.16 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.71 -1.71 57.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.085 1.354 . . . . 0.0 113.905 174.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 C-N-CA 125.374 1.464 . . . . 0.0 113.946 178.511 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 120.086 -0.286 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.21 151.14 86.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.245 3.297 . . . . 0.0 113.749 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.44 140.35 30.56 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 123.596 0.617 . . . . 0.0 112.894 171.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 71.2 m -83.54 143.65 30.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.577 0.751 . . . . 0.0 112.122 175.199 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 98.0 mtp -75.23 -27.44 59.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.446 2.299 . . . . 0.0 113.225 -5.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -143.78 145.98 32.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.356 1.462 . . . . 0.0 111.141 176.5 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -72.71 139.13 80.33 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.612 1.165 . . . . 0.0 111.026 172.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.02 148.71 92.02 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.102 2.535 . . . . 0.0 113.565 172.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.9 m 65.44 146.23 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.702 2.001 . . . . 0.0 113.91 -175.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 t -60.76 129.84 43.5 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.054 -1.028 . . . . 0.0 112.25 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 25.5 t -162.23 162.89 28.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.856 1.662 . . . . 0.0 111.026 -177.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -77.35 43.75 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.527 1.531 . . . . 0.0 113.152 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.57 -18.13 50.59 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.911 -1.118 . . . . 0.0 114.765 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -61.97 -28.23 69.41 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.972 0.909 . . . . 0.0 112.938 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.37 -43.21 86.61 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -173.526 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -61.43 -43.97 97.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -86.59 -34.66 19.81 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 177.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.38 -26.22 67.9 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -174.449 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.72 -13.86 60.32 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 173.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.93 158.52 19.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.492 1.117 . . . . 0.0 112.851 -177.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 C-N-CA 125.468 1.509 . . . . 0.0 114.169 178.525 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 . . . . . 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 . . . . . 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.473 0.683 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 . . . . . 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 . . . . . 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 . . . . . 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 . . . . . 0 CA--C 1.538 0.5 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 . . . . . 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 . . . . . 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 111.507 0.188 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 . . . . . 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 . . . . . 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 . . . . . 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 . . . . . 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 CA-C-O 119.947 -0.363 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.96 149.37 77.44 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.564 2.843 . . . . 0.0 112.609 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.73 -19.25 73.71 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.957 0.789 . . . . 0.0 114.796 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 m -96.61 135.08 39.01 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.019 1.328 . . . . 0.0 112.108 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.52 156.02 39.46 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.718 2.407 . . . . 0.0 111.764 -13.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -61.14 -31.98 71.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.961 0.904 . . . . 0.0 113.022 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -153.8 156.44 32.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 126.506 1.922 . . . . 0.0 111.049 166.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -66.28 170.06 12.73 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.779 2.319 . . . . 0.0 111.726 168.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.3 m -64.39 -27.14 68.8 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.152 0.981 . . . . 0.0 112.381 174.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -59.3 149.7 28.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.449 1.5 . . . . 0.0 113.153 176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t 61.38 28.76 18.12 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.764 1.626 . . . . 0.0 115.256 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -71.3 -14.6 62.26 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.394 -1.441 . . . . 0.0 113.066 164.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.23 -11.57 40.27 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.341 1.448 . . . . 0.0 116.243 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.3 p-90 -59.06 -31.0 68.48 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.181 1.49 . . . . 0.0 112.108 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -41.92 93.86 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.798 1.239 . . . . 0.0 112.62 -176.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -67.47 -39.16 85.29 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.378 0.671 . . . . 0.0 111.866 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.38 -31.92 71.62 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.543 -0.723 . . . . 0.0 112.447 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -68.71 -45.47 71.47 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.452 -0.78 . . . . 0.0 111.15 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 mp -59.44 -45.26 92.08 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 120.968 -1.083 . . . . 0.0 111.249 171.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -58.3 -43.5 88.12 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 123.48 0.712 . . . . 0.0 112.343 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.93 -35.78 42.81 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.9 -38.01 81.05 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.327 1.051 . . . . 0.0 112.613 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -63.36 -21.16 66.1 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -77.25 -22.11 52.68 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.43 146.47 46.92 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.945 0.898 . . . . 0.0 112.345 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 t -66.0 163.21 17.71 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.858 1.263 . . . . 0.0 111.716 169.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -53.74 -41.09 66.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.326 1.85 . . . . 0.0 112.909 -177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -72.34 -38.8 68.54 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.108 0.963 . . . . 0.0 112.343 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -75.46 -37.97 59.94 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.053 0.941 . . . . 0.0 113.279 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.11 -32.74 74.19 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.336 -0.852 . . . . 0.0 112.002 172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 68.8 mtm -74.77 -39.39 61.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 118.865 -0.588 . . . . 0.0 112.241 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.27 -40.83 91.76 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.877 0.762 . . . . 0.0 111.792 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.77 -52.94 62.18 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.895 1.278 . . . . 0.0 111.2 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.9 87.22 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.24 -43.92 85.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.563 1.145 . . . . 0.0 111.461 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -59.87 -39.15 84.29 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.05 1.34 . . . . 0.0 112.003 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.97 -42.29 85.38 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.891 0.877 . . . . 0.0 112.001 171.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -65.27 -48.11 74.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.614 0.766 . . . . 0.0 112.577 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -62.45 -32.94 73.89 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.522 0.601 . . . . 0.0 111.897 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -66.75 -51.67 53.22 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.668 -0.645 . . . . 0.0 111.84 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -67.11 -20.64 65.82 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.54 -39.92 51.4 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.157 1.383 . . . . 0.0 112.602 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -76.04 -37.52 58.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.732 0.813 . . . . 0.0 112.878 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -74.37 165.94 24.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.549 1.539 . . . . 0.0 113.27 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 C-N-CA 125.47 1.51 . . . . 0.0 114.009 177.518 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -73.67 -18.02 22.69 Favored 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 123.886 3.057 . . . . 0.0 114.419 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.04 -148.46 8.59 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.676 1.608 . . . . 0.0 112.119 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -66.45 -27.07 67.53 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.858 0.863 . . . . 0.0 113.146 175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 99.2 mmm -78.85 138.54 38.2 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.534 1.134 . . . . 0.0 111.936 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.46 -18.83 37.26 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -68.53 147.24 98.07 Favored Pre-proline 0 N--CA 1.479 0.991 0 C-N-CA 124.476 1.11 . . . . 0.0 112.649 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -68.74 153.98 72.11 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.836 3.024 . . . . 0.0 112.403 175.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 41.4 p -74.09 156.03 37.86 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.997 1.319 . . . . 0.0 112.527 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 21.5 p 61.02 -0.96 0.28 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 128.354 2.662 . . . . 0.0 117.649 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.5 m -75.11 160.53 30.35 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.141 1.377 . . . . 0.0 112.473 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -68.84 -0.17 5.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.342 1.457 . . . . 0.0 114.591 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.71 -5.43 13.12 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.408 1.48 . . . . 0.0 115.528 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.7 p-90 -65.28 -27.89 68.95 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 118.915 1.358 . . . . 0.0 112.885 170.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.09 -37.63 88.16 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.614 1.165 . . . . 0.0 112.497 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -66.27 -38.99 89.12 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.128 0.971 . . . . 0.0 111.971 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -70.18 -33.01 71.21 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.163 0.585 . . . . 0.0 112.125 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -68.71 -46.2 69.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.238 0.615 . . . . 0.0 111.201 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.33 -39.79 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.578 -1.326 . . . . 0.0 111.686 170.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.7 t -60.12 -47.14 87.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.813 0.733 . . . . 0.0 112.293 177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -75.22 -35.48 61.45 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -61.32 -38.58 87.38 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.146 0.978 . . . . 0.0 112.905 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 51.8 p -58.16 -23.57 55.75 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -78.02 -20.72 51.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.976 1.31 . . . . 0.0 114.356 -176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.72 146.68 49.72 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 71.1 m -70.81 164.03 26.07 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.602 1.161 . . . . 0.0 111.929 166.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -56.9 -38.62 73.06 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.561 1.144 . . . . 0.0 113.761 -172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -72.72 -37.39 67.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.461 1.105 . . . . 0.0 112.854 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -69.83 -44.39 70.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.252 1.421 . . . . 0.0 112.154 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.27 -31.7 72.98 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.703 -0.623 . . . . 0.0 112.565 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 40.1 mtm -69.09 -45.87 69.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.333 0.653 . . . . 0.0 111.889 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.04 94.13 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.549 0.613 . . . . 0.0 112.086 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 66.5 tp -61.96 -51.44 68.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.534 1.134 . . . . 0.0 112.266 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.32 86.96 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.33 -44.83 86.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.064 0.945 . . . . 0.0 111.142 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.55 -37.6 84.39 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.866 1.267 . . . . 0.0 112.132 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.94 -42.72 89.68 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.335 1.054 . . . . 0.0 111.868 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -66.13 -46.59 76.99 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.901 0.88 . . . . 0.0 112.426 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.64 -33.14 74.97 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.364 0.529 . . . . 0.0 112.326 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -64.31 -49.25 72.52 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.174 -0.954 . . . . 0.0 112.197 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -67.45 -20.11 65.45 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.27 -38.22 31.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.824 1.25 . . . . 0.0 113.074 171.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -78.06 -25.28 47.63 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.67 158.69 26.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.378 1.071 . . . . 0.0 113.544 169.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 C-N-CA 125.826 1.679 . . . . 0.0 113.282 175.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 CA-C-O 119.872 -0.405 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -58.25 145.78 91.68 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 124.145 3.23 . . . . 0.0 114.185 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.57 36.48 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.23 0.919 . . . . 0.0 113.546 178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -76.84 76.03 3.45 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.707 1.203 . . . . 0.0 111.022 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 75.8 mtm -73.46 10.42 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.208 1.803 . . . . 0.0 114.783 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.3 42.19 0.26 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.63 1.972 . . . . 0.0 113.543 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.21 148.97 88.21 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.956 1.302 . . . . 0.0 113.382 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -64.07 143.71 85.32 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 123.333 2.689 . . . . 0.0 112.274 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 t -159.29 171.85 19.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.503 1.521 . . . . 0.0 111.37 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -59.41 150.84 25.31 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.46 1.504 . . . . 0.0 112.59 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 149.27 33.84 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.037 1.335 . . . . 0.0 112.536 -175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -125.41 28.99 6.14 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.444 1.898 . . . . 0.0 112.729 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.92 -12.07 20.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.045 1.307 . . . . 0.0 115.915 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.9 p-90 -61.98 -29.02 69.96 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.832 1.316 . . . . 0.0 112.853 171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -62.82 -37.31 86.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.084 0.954 . . . . 0.0 112.038 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -64.81 -42.27 95.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.094 0.958 . . . . 0.0 112.382 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.57 -40.18 96.29 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.617 -0.677 . . . . 0.0 111.608 171.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -66.65 -42.67 86.29 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.51 -47.43 86.21 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.754 -1.216 . . . . 0.0 111.354 170.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -55.74 -46.08 77.87 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.466 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -76.01 -36.42 59.15 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.01 -36.21 76.73 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 112.539 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.3 t -63.92 -20.72 66.06 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -79.09 -22.05 45.8 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.84 142.49 51.25 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.545 0.738 . . . . 0.0 112.718 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -70.32 166.35 20.39 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.757 1.223 . . . . 0.0 112.127 172.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -57.45 -37.1 72.31 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.34 1.456 . . . . 0.0 113.688 -171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -73.9 -36.71 64.79 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.648 0.779 . . . . 0.0 112.257 174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -77.48 -37.61 50.89 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.148 0.979 . . . . 0.0 112.786 -172.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.29 -31.46 72.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.865 -0.522 . . . . 0.0 112.125 172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.0 mtt -66.62 -50.03 64.33 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.179 0.445 . . . . 0.0 111.386 170.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -40.0 82.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.019 0.528 . . . . 0.0 112.147 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.97 -51.3 68.64 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.218 1.407 . . . . 0.0 111.782 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.95 92.85 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.415 -0.803 . . . . 0.0 112.362 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.16 -43.61 97.82 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.8 1.24 . . . . 0.0 111.465 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.56 -50.14 72.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.549 1.54 . . . . 0.0 111.83 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.7 -38.77 89.08 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.525 0.73 . . . . 0.0 112.529 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.69 -45.77 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.795 0.838 . . . . 0.0 112.92 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.14 -32.11 73.65 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.829 0.74 . . . . 0.0 111.754 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.78 -51.76 66.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 0.0 112.317 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.15 -17.64 61.36 Favored 'General case' 0 CA--C 1.548 0.865 0 N-CA-C 114.341 1.238 . . . . 0.0 114.341 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.39 -34.36 54.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.123 0.969 . . . . 0.0 112.999 168.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -75.78 -33.7 60.18 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.95 0.9 . . . . 0.0 113.367 172.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.29 159.08 33.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.862 1.265 . . . . 0.0 112.924 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.419 1.485 . . . . 0.0 113.696 177.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -66.58 -15.18 46.84 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 124.362 3.375 . . . . 0.0 116.115 -174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 3.07 89.77 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 124.617 1.103 . . . . 0.0 115.619 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 7.7 t 53.36 53.05 12.32 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.988 1.715 . . . . 0.0 113.515 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.2 ttt -60.04 137.77 58.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.114 0.966 . . . . 0.0 112.073 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.63 159.22 32.47 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.672 1.189 . . . . 0.0 112.417 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.83 144.62 93.27 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.327 1.051 . . . . 0.0 112.005 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.76 159.49 53.5 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.837 3.025 . . . . 0.0 113.1 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 67.1 p -78.97 1.9 22.19 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.647 1.579 . . . . 0.0 114.509 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 33.0 t -61.75 149.67 39.11 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.762 1.225 . . . . 0.0 112.939 178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 89.1 p -139.47 16.02 2.56 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.355 1.462 . . . . 0.0 113.926 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.13 -35.88 82.22 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.123 -0.986 . . . . 0.0 112.859 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.83 -57.7 3.06 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.726 1.631 . . . . 0.0 115.549 170.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -63.72 -28.23 69.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -172.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -62.43 -35.78 80.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.947 1.299 . . . . 0.0 113.233 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -67.61 -43.68 79.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.881 0.872 . . . . 0.0 110.855 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.46 -33.28 75.57 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.554 -0.716 . . . . 0.0 111.975 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.01 -48.06 66.78 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.597 -0.689 . . . . 0.0 111.57 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.24 -34.67 75.51 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.052 -1.03 . . . . 0.0 112.102 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.8 t -63.32 -50.56 69.53 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.969 0.508 . . . . 0.0 112.254 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -69.03 -37.8 78.83 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.2 -26.22 68.23 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.166 0.986 . . . . 0.0 112.433 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -64.54 -23.48 67.29 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -85.64 -20.1 29.97 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -171.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.49 146.12 52.16 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 35.9 t -66.89 164.28 17.77 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.614 1.166 . . . . 0.0 112.09 163.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -56.39 -41.18 75.83 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.908 1.283 . . . . 0.0 113.326 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -71.98 -34.89 69.28 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.541 1.136 . . . . 0.0 112.217 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -72.87 -43.53 62.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.546 1.138 . . . . 0.0 112.5 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.52 -33.69 76.51 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.211 -0.93 . . . . 0.0 112.094 174.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.6 mtm -65.17 -49.61 69.17 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.392 0.677 . . . . 0.0 111.202 173.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.12 95.53 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.247 0.619 . . . . 0.0 112.483 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.5 tp -64.11 -49.25 72.94 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.528 1.131 . . . . 0.0 112.231 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.83 85.51 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.69 0.677 . . . . 0.0 112.2 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.45 -43.88 84.35 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.656 0.782 . . . . 0.0 111.966 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -60.54 -38.32 84.08 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.735 1.214 . . . . 0.0 112.389 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.56 -40.99 93.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.477 1.111 . . . . 0.0 111.72 170.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -65.46 -49.74 67.96 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.978 0.808 . . . . 0.0 112.635 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -62.24 -30.82 71.38 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.792 0.724 . . . . 0.0 112.91 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -65.82 -47.48 74.9 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.177 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.3 -30.08 65.82 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.99 -35.63 81.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.247 1.019 . . . . 0.0 113.106 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -85.89 -11.99 51.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.245 . . . . 0.0 114.033 174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -67.1 142.21 57.18 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.521 1.128 . . . . 0.0 113.154 -176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.12 1.343 . . . . 0.0 113.031 178.257 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.598 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -78.97 1.67 8.95 Favored 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 125.117 3.878 . . . . 0.0 115.072 -174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.73 15.05 71.55 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.656 1.122 . . . . 0.0 114.901 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -150.83 152.78 34.25 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.221 1.809 . . . . 0.0 111.029 177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.2 mmm -75.49 -23.51 56.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.826 0.851 . . . . 0.0 112.826 172.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.4 m120 59.69 -40.85 0.08 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 129.022 2.929 . . . . 0.0 116.477 -173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.29 159.56 84.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.534 1.934 . . . . 0.0 112.373 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.24 142.88 97.65 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.027 2.484 . . . . 0.0 112.524 173.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.6 t -74.47 150.76 39.74 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.505 0.722 . . . . 0.0 112.801 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -69.71 162.85 26.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.452 1.501 . . . . 0.0 112.948 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t 58.31 -160.76 0.25 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.321 1.449 . . . . 0.0 113.204 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.35 -12.71 45.1 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.722 1.609 . . . . 0.0 114.91 -172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.16 -1.99 45.01 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.36 1.457 . . . . 0.0 115.782 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -53.63 -25.41 17.61 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.488 1.644 . . . . 0.0 114.073 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -58.23 -36.84 73.78 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.39 1.876 . . . . 0.0 113.413 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -66.34 -43.73 85.27 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.341 1.056 . . . . 0.0 111.547 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -67.23 -32.61 73.77 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.298 -0.876 . . . . 0.0 111.952 172.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -67.59 -45.14 76.37 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.414 -0.804 . . . . 0.0 111.959 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.3 -40.37 81.78 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.127 -0.983 . . . . 0.0 111.886 169.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.5 t -63.33 -44.81 93.84 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -72.65 -36.2 67.92 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 119.098 0.863 . . . . 0.0 113.007 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.57 -27.92 68.07 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.238 1.015 . . . . 0.0 112.764 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.7 t -65.26 -23.84 67.16 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -83.34 -22.59 32.81 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.8 145.48 50.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.305 1.442 . . . . 0.0 112.577 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.7 t -68.19 166.61 15.89 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.537 1.135 . . . . 0.0 111.974 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -58.44 -39.41 79.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 113.798 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -71.23 -38.57 71.97 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.604 -0.685 . . . . 0.0 112.321 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -70.82 -41.03 72.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.355 1.062 . . . . 0.0 112.92 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.54 -32.55 74.04 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.055 0.843 . . . . 0.0 112.233 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.7 mtm -74.83 -40.44 61.05 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.88 -0.513 . . . . 0.0 111.931 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.16 89.45 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.682 0.673 . . . . 0.0 111.907 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.26 -53.84 51.68 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.806 1.243 . . . . 0.0 111.2 173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.84 94.22 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.678 -0.639 . . . . 0.0 112.56 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.07 -43.28 92.72 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.158 0.983 . . . . 0.0 111.631 175.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -62.22 -37.54 85.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.329 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.31 -41.42 89.74 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.745 0.818 . . . . 0.0 111.607 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.77 -48.37 74.73 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.355 0.662 . . . . 0.0 112.449 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -64.35 -31.61 72.88 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.475 0.58 . . . . 0.0 112.387 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.6 -48.4 66.93 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.298 0.639 . . . . 0.0 112.682 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -66.09 -24.83 66.78 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.77 1.168 . . . . 0.0 113.396 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.66 -30.36 64.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.198 0.999 . . . . 0.0 112.406 173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -88.92 -37.81 14.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.238 1.015 . . . . 0.0 113.197 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -80.01 -4.81 54.2 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 C-N-CA 125.336 1.446 . . . . 0.0 113.395 177.391 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 112.255 -0.338 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.28 -9.89 20.56 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.496 3.464 . . . . 0.0 114.819 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.79 -162.23 44.79 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.512 1.053 . . . . 0.0 113.412 -172.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 57.0 m -122.85 143.17 50.04 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.641 1.176 . . . . 0.0 112.363 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 95.7 mmm -97.18 149.86 21.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.765 1.226 . . . . 0.0 112.153 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -71.53 149.07 46.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.085 2.154 . . . . 0.0 112.119 -6.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.74 149.91 88.25 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.211 1.404 . . . . 0.0 112.9 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -66.78 129.8 21.81 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 122.635 2.223 . . . . 0.0 111.419 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.8 t -81.7 -32.62 31.58 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 31.3 t -83.91 141.91 30.94 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 77.9 p -81.04 -10.31 59.71 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.339 1.456 . . . . 0.0 113.6 170.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -128.51 -29.1 2.45 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.262 1.425 . . . . 0.0 114.39 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.35 -26.51 66.32 Favored Glycine 0 CA--C 1.54 1.597 0 CA-C-N 119.518 1.054 . . . . 0.0 113.849 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -66.83 -29.72 69.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.179 0.991 . . . . 0.0 112.838 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -66.21 -40.6 90.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.718 0.807 . . . . 0.0 111.944 -177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.79 -40.77 95.79 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.419 0.687 . . . . 0.0 111.627 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.66 -36.06 80.03 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.224 0.61 . . . . 0.0 112.271 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -67.29 -45.88 75.22 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.372 -0.83 . . . . 0.0 111.398 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.4 -41.74 94.49 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.881 -1.137 . . . . 0.0 111.742 171.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 69.1 m -61.25 -40.51 94.34 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -78.55 -39.25 38.34 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -59.46 -39.65 84.32 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.661 1.184 . . . . 0.0 111.996 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.2 t -57.14 -24.87 57.27 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -78.56 -22.16 47.59 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.85 144.2 47.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.356 1.062 . . . . 0.0 112.826 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 23.2 t -71.13 166.21 21.94 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.148 1.379 . . . . 0.0 112.015 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -57.21 -37.75 72.68 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.548 1.539 . . . . 0.0 113.632 -172.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -72.51 -38.35 68.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.459 0.703 . . . . 0.0 112.417 174.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.71 -37.46 56.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.739 1.215 . . . . 0.0 113.198 -172.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.12 -29.0 70.46 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.495 -0.753 . . . . 0.0 112.528 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -69.12 -44.71 71.84 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.739 -0.601 . . . . 0.0 111.006 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.91 82.19 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.418 0.687 . . . . 0.0 112.288 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.6 -54.06 47.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.101 0.96 . . . . 0.0 111.402 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.44 84.12 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.602 -0.686 . . . . 0.0 112.631 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.34 -45.22 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.09 1.356 . . . . 0.0 111.392 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -57.28 -45.18 84.33 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.821 1.248 . . . . 0.0 111.553 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.03 -41.51 99.55 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.649 0.779 . . . . 0.0 112.516 172.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -63.66 -48.21 78.13 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.748 1.219 . . . . 0.0 112.287 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -66.66 -31.38 72.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.851 0.75 . . . . 0.0 112.38 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -64.35 -47.63 78.6 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.862 0.755 . . . . 0.0 112.584 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.51 -22.2 65.46 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 175.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.55 -40.79 61.46 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.631 0.772 . . . . 0.0 112.114 169.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -68.19 -19.51 64.78 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.445 1.098 . . . . 0.0 113.526 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.65 -11.6 60.7 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.486 1.114 . . . . 0.0 113.588 170.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.394 0 C-N-CA 125.273 1.416 . . . . 0.0 114.254 178.353 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 CA-C-O 119.415 -0.659 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -60.19 158.43 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.318 3.345 . . . . 0.0 113.98 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.41 156.69 48.19 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.238 0.923 . . . . 0.0 113.64 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.4 t -74.32 -27.46 60.72 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.6 mtt 52.08 53.75 11.97 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.466 1.906 . . . . 0.0 113.718 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -73.69 -10.96 60.22 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -170.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.55 146.67 98.11 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.454 1.102 . . . . 0.0 112.776 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.31 -15.39 22.61 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.654 2.903 . . . . 0.0 113.491 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -136.01 165.48 25.58 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.42 1.888 . . . . 0.0 112.141 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -143.87 -169.17 3.03 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.878 1.671 . . . . 0.0 112.172 -175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.1 m -56.11 150.74 13.42 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.705 1.602 . . . . 0.0 114.093 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 62.95 10.82 4.63 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.886 2.074 . . . . 0.0 115.321 -174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.09 -11.05 60.52 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.427 1.489 . . . . 0.0 115.248 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.5 p-90 -59.7 -25.95 65.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.351 1.46 . . . . 0.0 113.212 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.6 -35.39 79.39 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.211 1.405 . . . . 0.0 113.201 -177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -68.5 -40.1 81.03 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.449 0.7 . . . . 0.0 112.368 176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -69.13 -32.13 71.29 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.203 0.601 . . . . 0.0 111.929 173.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -69.01 -44.28 73.1 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.783 -0.573 . . . . 0.0 111.576 176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.22 -38.37 79.78 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.897 -1.127 . . . . 0.0 111.938 170.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -63.75 -45.97 87.44 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -74.66 -33.36 62.48 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.9 mp -60.8 -28.68 68.95 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.655 1.182 . . . . 0.0 112.588 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.0 t -65.55 -24.65 67.15 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -83.41 -22.37 32.71 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -167.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.2 145.88 55.28 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.43 1.492 . . . . 0.0 112.145 178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -68.86 162.57 26.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.355 1.062 . . . . 0.0 111.317 168.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -58.57 -35.95 73.18 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.309 1.044 . . . . 0.0 113.335 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.46 -37.65 56.6 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.781 0.719 . . . . 0.0 112.393 173.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -68.53 -38.26 80.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.696 0.798 . . . . 0.0 112.688 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.51 -29.87 70.56 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.4 mtt -70.22 -45.61 66.21 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.676 0.671 . . . . 0.0 110.662 172.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.61 90.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.536 0.734 . . . . 0.0 112.144 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 tp -62.79 -50.11 72.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.28 1.032 . . . . 0.0 112.463 174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.18 86.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.12 -44.41 92.35 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.611 1.164 . . . . 0.0 111.812 172.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -59.5 -46.61 88.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.635 1.174 . . . . 0.0 111.539 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.36 -41.08 83.92 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.463 1.105 . . . . 0.0 112.09 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -67.8 -49.33 62.91 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.601 0.637 . . . . 0.0 112.711 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.21 -29.05 70.17 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.873 0.761 . . . . 0.0 112.495 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.16 -51.34 66.82 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.24 -0.912 . . . . 0.0 111.787 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.19 -29.91 68.87 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.516 -0.74 . . . . 0.0 112.795 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 tp -67.87 -37.56 81.97 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.207 1.003 . . . . 0.0 112.293 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -74.04 -26.53 60.46 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.172 0.989 . . . . 0.0 113.197 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -72.82 -21.82 60.9 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.132 0.973 . . . . 0.0 112.882 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 C-N-CA 125.792 1.663 . . . . 0.0 113.852 177.102 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.15 158.63 56.65 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 123.871 3.047 . . . . 0.0 113.065 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -164.58 14.6 0.09 OUTLIER Glycine 0 CA--C 1.534 1.232 0 O-C-N 118.955 -2.341 . . . . 0.0 115.252 -0.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.6 m -66.49 153.46 42.83 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 113.145 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -150.19 163.96 36.89 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.206 1.403 . . . . 0.0 112.053 176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -128.33 169.79 13.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.602 1.561 . . . . 0.0 112.174 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -136.07 137.97 26.3 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.321 1.848 . . . . 0.0 110.945 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -63.67 -177.59 0.44 Allowed 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 124.0 3.133 . . . . 0.0 114.281 171.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 43.0 m -51.75 122.83 8.86 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.127 1.371 . . . . 0.0 111.684 177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.2 p -77.46 -32.3 54.33 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -166.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t 51.1 -157.24 0.11 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.788 1.235 . . . . 0.0 112.248 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 59.8 p30 -84.98 -9.06 58.45 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.75 -1.219 . . . . 0.0 113.291 165.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.65 -5.62 64.53 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.597 1.57 . . . . 0.0 115.331 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -58.01 -30.89 66.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.543 1.137 . . . . 0.0 113.073 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -63.47 -37.41 87.18 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.759 1.224 . . . . 0.0 113.025 -176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.82 -43.0 76.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.164 0.986 . . . . 0.0 111.315 176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -64.94 -31.74 73.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.438 -0.789 . . . . 0.0 112.322 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -48.22 68.69 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.405 -0.809 . . . . 0.0 111.651 176.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.58 -38.86 89.09 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.988 -1.07 . . . . 0.0 111.946 171.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.6 t -59.91 -46.04 90.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.574 -0.704 . . . . 0.0 112.476 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 26.2 ptt85 -75.77 -39.46 56.99 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.7 -33.49 74.11 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.346 1.058 . . . . 0.0 112.115 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -56.72 -32.05 65.12 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -76.02 -20.51 57.75 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.683 1.193 . . . . 0.0 114.05 -173.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.52 143.36 49.98 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.822 0.737 . . . . 0.0 112.831 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 25.6 t -70.0 165.66 21.34 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.572 1.549 . . . . 0.0 111.925 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -58.68 -35.32 72.4 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.503 1.521 . . . . 0.0 113.521 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -79.04 -35.2 43.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.787 0.835 . . . . 0.0 112.734 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -69.94 -40.67 75.36 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.302 1.041 . . . . 0.0 112.515 -177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.14 -30.56 71.5 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.487 0.715 . . . . 0.0 112.524 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 63.9 mtt -67.21 -46.82 72.69 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.821 -0.55 . . . . 0.0 111.493 173.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.97 85.75 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.361 0.528 . . . . 0.0 111.952 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.93 -54.0 47.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.332 1.053 . . . . 0.0 111.378 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.89 89.07 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.523 -0.736 . . . . 0.0 112.703 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.65 -44.15 94.68 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.66 1.184 . . . . 0.0 111.962 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -59.62 -45.76 91.01 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.408 1.083 . . . . 0.0 112.307 174.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.61 -38.5 90.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.236 0.614 . . . . 0.0 111.93 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.76 -49.81 60.46 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.993 0.917 . . . . 0.0 112.696 -178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -63.92 -30.61 71.67 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.648 0.658 . . . . 0.0 112.387 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -63.34 -50.9 68.15 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 112.793 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.91 -21.53 64.22 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.86 -35.85 43.2 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.575 1.15 . . . . 0.0 112.899 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -71.94 -34.88 69.39 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.862 0.865 . . . . 0.0 112.693 171.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -73.49 157.84 36.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.941 1.296 . . . . 0.0 112.832 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 CA-C-O 118.356 -1.246 . . . . 0.0 113.336 178.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 CA-C-O 119.764 -0.465 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.97 152.97 67.18 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.354 3.369 . . . . 0.0 113.784 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.53 -159.1 50.7 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.453 1.025 . . . . 0.0 114.424 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.7 p -153.26 159.54 42.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.102 1.361 . . . . 0.0 111.828 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -127.08 16.57 7.27 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.469 1.508 . . . . 0.0 113.255 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.57 -49.16 67.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.101 0.96 . . . . 0.0 111.982 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -76.54 153.24 83.63 Favored Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 124.723 1.209 . . . . 0.0 112.031 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.17 143.3 93.66 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.193 2.595 . . . . 0.0 112.822 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 81.2 p -100.46 12.75 36.55 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.505 1.522 . . . . 0.0 113.472 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m 58.51 27.63 15.86 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.011 1.724 . . . . 0.0 114.728 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -153.99 143.09 21.28 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.944 1.698 . . . . 0.0 110.606 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.05 -13.08 61.92 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.83 -3.38 42.47 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 124.976 1.274 . . . . 0.0 115.605 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.4 p-90 -58.56 -30.33 67.06 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.151 1.476 . . . . 0.0 113.332 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.26 -39.63 93.54 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.603 1.561 . . . . 0.0 113.664 -174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -68.21 -40.85 82.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.578 0.751 . . . . 0.0 111.664 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -68.04 -34.11 75.86 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.326 0.651 . . . . 0.0 112.021 172.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.77 -42.75 81.22 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.674 -0.642 . . . . 0.0 111.956 176.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.64 -42.58 97.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.838 -1.164 . . . . 0.0 111.77 169.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.9 t -60.56 -44.35 96.27 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -73.46 -37.14 65.91 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.68 -33.54 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.148 0.979 . . . . 0.0 113.114 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t -62.05 -23.62 66.59 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -78.46 -22.15 47.99 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.805 -1.185 . . . . 0.0 113.763 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.23 136.11 53.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.84 1.656 . . . . 0.0 111.211 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.1 m -72.37 168.36 18.57 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.17 1.388 . . . . 0.0 111.868 170.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -56.18 -41.24 75.2 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -69.87 -37.92 76.25 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.548 -0.72 . . . . 0.0 112.382 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.53 -38.31 55.3 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.888 1.275 . . . . 0.0 112.913 -172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.4 -34.57 78.48 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.628 0.649 . . . . 0.0 111.504 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.53 -39.13 62.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.289 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.28 97.2 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.843 0.747 . . . . 0.0 111.717 171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -52.56 62.95 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.758 1.223 . . . . 0.0 111.697 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.64 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.465 -0.772 . . . . 0.0 112.747 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.27 -40.9 86.22 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.221 1.008 . . . . 0.0 111.386 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -59.68 -45.73 91.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.095 0.958 . . . . 0.0 111.684 173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.98 -37.59 80.07 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.088 0.955 . . . . 0.0 112.518 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -68.92 -50.12 52.18 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.861 0.755 . . . . 0.0 112.104 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -63.69 -31.21 72.31 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.681 0.673 . . . . 0.0 112.106 177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -61.25 -47.31 86.62 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.117 -0.989 . . . . 0.0 113.259 172.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.69 -21.04 61.12 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.635 1.107 . . . . 0.0 113.648 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -78.17 -41.2 35.49 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.48 1.112 . . . . 0.0 112.016 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -76.37 -39.79 52.82 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.325 1.05 . . . . 0.0 113.382 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.85 155.46 30.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.238 1.015 . . . . 0.0 112.873 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.35 1.452 . . . . 0.0 113.26 -179.351 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.519 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.477 1.391 0 CA-C-O 118.982 -0.899 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -63.26 134.67 46.51 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 122.846 2.364 . . . . 0.0 111.298 176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.45 -4.38 50.03 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.067 1.318 . . . . 0.0 115.822 -176.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 19.9 m -79.6 -8.66 59.33 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.273 1.536 . . . . 0.0 113.832 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 16.5 tpt -62.7 140.4 58.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.07 1.348 . . . . 0.0 112.885 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -67.76 149.96 49.27 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.742 1.217 . . . . 0.0 112.764 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.53 147.29 96.69 Favored Pre-proline 0 N--CA 1.477 0.917 0 CA-C-O 118.398 -0.81 . . . . 0.0 111.548 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.98 150.57 83.36 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 123.179 2.586 . . . . 0.0 113.633 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -72.92 152.24 41.52 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.534 1.134 . . . . 0.0 111.966 169.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 m -71.28 -17.51 62.47 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.273 1.029 . . . . 0.0 112.933 167.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 27.0 t -71.61 166.95 20.8 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.5 1.52 . . . . 0.0 112.773 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.77 -8.58 11.01 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.817 -1.177 . . . . 0.0 114.09 165.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.55 -16.57 22.78 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.18 1.371 . . . . 0.0 115.806 -177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -61.47 -30.0 70.32 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.376 1.588 . . . . 0.0 112.491 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -68.14 -35.78 78.64 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.645 1.178 . . . . 0.0 112.362 -176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.71 -41.06 88.58 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.032 0.933 . . . . 0.0 111.784 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.6 -35.04 79.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.69 0.796 . . . . 0.0 112.206 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -69.01 -42.38 76.49 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.292 -0.88 . . . . 0.0 111.972 176.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.88 -40.57 93.53 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.546 -1.346 . . . . 0.0 111.72 169.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -59.7 -44.02 93.86 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.483 0.713 . . . . 0.0 112.493 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 ptt85 -72.41 -39.14 68.14 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.871 0.76 . . . . 0.0 112.888 176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.42 -38.31 90.65 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.479 1.112 . . . . 0.0 112.332 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 22.9 t -57.27 -23.08 46.04 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -75.43 -21.23 58.34 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.97 144.38 34.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -173.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 24.0 t -77.06 169.2 18.77 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.402 1.481 . . . . 0.0 111.515 164.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -59.43 -40.99 88.54 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -64.28 -39.8 94.67 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 122.879 0.471 . . . . 0.0 111.887 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -74.08 -42.75 59.68 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.343 1.057 . . . . 0.0 113.29 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.33 -33.54 75.96 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.419 1.008 . . . . 0.0 111.825 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 31.4 mtm -65.43 -46.09 81.32 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.959 0.503 . . . . 0.0 111.383 172.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.44 88.11 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.521 0.6 . . . . 0.0 112.606 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.63 -52.5 63.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.004 1.321 . . . . 0.0 111.514 175.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.34 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.1 -44.7 91.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.895 0.878 . . . . 0.0 110.96 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -57.69 -46.67 84.0 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.63 1.172 . . . . 0.0 111.886 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.0 -39.67 93.03 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.644 0.778 . . . . 0.0 112.251 174.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.27 -45.09 74.08 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.706 0.802 . . . . 0.0 112.762 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.44 -30.73 70.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.973 0.806 . . . . 0.0 111.731 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -63.17 -48.91 76.38 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.251 0.932 . . . . 0.0 112.632 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.03 -24.5 66.01 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 119.065 0.848 . . . . 0.0 113.268 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.71 -37.65 55.7 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.719 1.208 . . . . 0.0 112.722 172.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.54 -27.86 68.08 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.021 -1.05 . . . . 0.0 112.583 171.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -73.61 -11.03 60.29 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.001 1.321 . . . . 0.0 114.464 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 CA-C-O 118.263 -1.298 . . . . 0.0 113.963 -179.249 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 CA-C-O 119.228 -0.762 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -68.98 154.57 70.56 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.753 2.968 . . . . 0.0 112.989 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.86 1.02 89.3 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.819 1.199 . . . . 0.0 115.339 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -141.61 154.63 45.52 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.396 1.878 . . . . 0.0 111.148 -173.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -101.14 24.05 9.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 129.112 2.965 . . . . 0.0 113.239 2.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -60.65 153.7 23.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.231 1.412 . . . . 0.0 113.364 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -146.99 155.48 47.42 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 126.241 1.816 . . . . 0.0 111.869 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -64.96 151.65 85.07 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.263 2.642 . . . . 0.0 112.409 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.6 p -80.97 -12.13 59.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.358 1.463 . . . . 0.0 114.183 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m 56.91 27.91 13.8 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.822 1.649 . . . . 0.0 114.203 -173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.5 p -64.22 -21.88 66.74 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.339 1.056 . . . . 0.0 113.212 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -82.03 14.9 2.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.953 1.701 . . . . 0.0 114.047 174.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.34 -13.74 30.67 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.732 1.158 . . . . 0.0 115.177 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -57.07 -26.75 60.91 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.188 1.395 . . . . 0.0 112.891 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.23 -35.79 76.24 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.579 1.152 . . . . 0.0 113.149 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -68.55 -40.47 80.63 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.58 0.752 . . . . 0.0 111.941 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.36 -36.46 82.94 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.699 -0.625 . . . . 0.0 111.618 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.65 -45.12 80.03 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 122.074 -0.391 . . . . 0.0 111.894 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.09 -39.23 85.4 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.935 -1.103 . . . . 0.0 112.571 171.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -66.94 -42.03 85.98 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -76.59 -32.04 57.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.91 -30.19 70.72 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.743 1.217 . . . . 0.0 112.828 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 t -62.97 -25.75 68.51 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -81.41 -23.1 37.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.91 144.59 55.17 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.591 1.156 . . . . 0.0 112.229 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -66.32 163.07 18.86 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.432 1.093 . . . . 0.0 111.707 166.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.87 -35.42 74.78 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.994 1.317 . . . . 0.0 113.291 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.86 -38.69 61.88 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.778 0.831 . . . . 0.0 112.814 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.09 -41.19 86.71 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.723 0.809 . . . . 0.0 112.616 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.4 -28.86 69.56 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.1 mtt -69.2 -46.01 68.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.684 0.674 . . . . 0.0 111.372 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.51 90.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.052 0.541 . . . . 0.0 112.031 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.18 -52.65 62.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.313 1.045 . . . . 0.0 111.82 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.56 91.45 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.54 -46.63 87.51 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.045 174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.88 -46.29 88.17 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.673 1.189 . . . . 0.0 111.864 176.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.0 -39.68 90.65 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.092 0.557 . . . . 0.0 111.785 173.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -67.28 -45.24 77.17 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.689 0.677 . . . . 0.0 112.521 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -66.58 -33.69 76.24 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.062 0.846 . . . . 0.0 112.113 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -60.77 -49.12 78.78 Favored 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.127 -0.983 . . . . 0.0 112.565 174.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.5 -21.99 64.56 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.45 -40.67 29.32 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.581 1.153 . . . . 0.0 111.895 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -67.92 -32.96 73.78 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.545 1.066 . . . . 0.0 112.526 175.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -74.99 -6.0 46.97 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.142 1.377 . . . . 0.0 114.255 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.345 0 C-N-CA 125.916 1.722 . . . . 0.0 113.178 178.636 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.317 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 159.33 54.04 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.156 3.237 . . . . 0.0 112.899 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.33 -178.26 31.93 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.453 1.025 . . . . 0.0 113.941 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 29.0 t -63.48 130.27 43.69 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.646 -0.914 . . . . 0.0 112.02 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 87.9 mtp -94.68 -7.67 40.05 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -168.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -153.83 159.97 42.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.999 1.32 . . . . 0.0 111.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . 0.421 ' HE3' ' CG ' ' B' ' 114' ' ' TRP . 64.8 mttm -66.77 153.98 92.72 Favored Pre-proline 0 N--CA 1.479 1.016 0 C-N-CA 124.982 1.313 . . . . 0.0 112.518 176.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.61 -12.23 26.71 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.729 2.953 . . . . 0.0 114.775 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -146.94 150.55 35.41 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.095 1.358 . . . . 0.0 112.097 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 36.2 t -81.65 119.45 23.83 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.311 1.044 . . . . 0.0 111.738 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 48.3 t -161.75 147.89 13.8 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.766 1.627 . . . . 0.0 110.541 172.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -89.17 -18.16 27.69 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 170.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -79.6 -4.66 89.35 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.57 1.557 . . . . 0.0 116.026 -165.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.421 ' CG ' ' HE3' ' B' ' 107' ' ' LYS . 61.9 p-90 -59.42 -24.91 63.9 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.564 1.182 . . . . 0.0 113.57 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -61.76 -36.95 82.5 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.381 1.473 . . . . 0.0 113.254 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -68.61 -41.21 79.87 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.035 0.934 . . . . 0.0 111.773 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -68.24 -33.2 73.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.386 0.674 . . . . 0.0 111.943 172.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -65.68 -47.2 76.26 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.532 0.733 . . . . 0.0 111.75 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.25 -40.4 90.14 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.424 -0.797 . . . . 0.0 112.158 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.6 t -61.04 -47.29 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -73.13 -37.24 66.71 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.14 -33.27 71.92 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.343 1.057 . . . . 0.0 112.794 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 16.4 t -58.05 -29.88 65.72 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -75.41 -22.08 57.7 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.55 143.38 48.32 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.885 0.766 . . . . 0.0 112.416 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 69.1 m -74.26 165.0 25.92 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.211 1.404 . . . . 0.0 111.382 163.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -58.5 -38.37 77.52 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -67.11 -33.27 75.11 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.976 0.807 . . . . 0.0 112.978 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -77.64 -45.18 25.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.967 1.307 . . . . 0.0 112.273 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.26 -29.45 69.69 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 121.398 -0.814 . . . . 0.0 111.941 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.65 -51.22 68.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.462 0.705 . . . . 0.0 111.463 170.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.2 90.69 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.315 0.646 . . . . 0.0 111.895 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.61 -52.61 63.68 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.703 1.201 . . . . 0.0 111.354 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.89 85.27 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.657 -0.652 . . . . 0.0 112.532 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.12 -45.1 93.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.625 1.17 . . . . 0.0 111.574 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -58.58 -45.93 88.01 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.709 1.204 . . . . 0.0 112.196 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.83 -40.6 96.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.258 0.623 . . . . 0.0 112.124 173.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.41 -47.7 82.95 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.287 1.435 . . . . 0.0 112.284 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -67.67 -33.39 74.83 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.082 0.856 . . . . 0.0 112.209 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -63.09 -49.71 73.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.846 0.858 . . . . 0.0 112.394 175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.08 -25.81 66.42 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 5.8 mp -73.98 -39.02 63.98 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.802 0.841 . . . . 0.0 112.394 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -66.64 -28.61 68.61 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.514 1.052 . . . . 0.0 112.96 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.31 -22.17 60.4 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.494 1.118 . . . . 0.0 113.457 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.391 0 C-N-CA 125.651 1.596 . . . . 0.0 113.953 -176.794 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -61.69 155.55 53.13 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.373 3.382 . . . . 0.0 114.762 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.33 168.79 42.81 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.826 1.203 . . . . 0.0 115.03 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -63.31 136.44 57.68 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.381 1.073 . . . . 0.0 112.862 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtp 58.69 4.75 0.4 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.156 2.182 . . . . 0.0 116.526 -176.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -88.97 7.73 33.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.621 1.169 . . . . 0.0 113.944 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 56.44 69.88 1.64 Allowed Pre-proline 0 N--CA 1.483 1.203 0 C-N-CA 127.008 2.123 . . . . 0.0 113.134 -175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -70.95 -14.64 32.46 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.78 2.987 . . . . 0.0 114.084 176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.2 p -135.23 151.76 50.91 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.177 1.791 . . . . 0.0 111.889 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -159.66 168.72 25.34 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.756 1.222 . . . . 0.0 113.396 -176.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.4 p 48.44 -119.76 1.19 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.568 2.347 . . . . 0.0 115.19 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -78.97 53.19 1.36 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.578 1.951 . . . . 0.0 113.775 -170.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.86 49.27 Favored Glycine 0 CA--C 1.538 1.512 0 O-C-N 120.799 -1.188 . . . . 0.0 115.122 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.2 p-90 -61.69 -30.23 70.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.28 1.04 . . . . 0.0 113.131 173.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.23 -37.24 83.24 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.185 0.994 . . . . 0.0 113.033 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -67.65 -39.66 84.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.723 0.809 . . . . 0.0 111.639 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.79 -36.46 82.44 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.294 0.638 . . . . 0.0 112.011 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.59 -45.3 79.68 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.662 0.785 . . . . 0.0 111.644 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.8 -41.47 91.3 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.133 -0.98 . . . . 0.0 111.75 170.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -60.22 -43.7 95.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.303 0.641 . . . . 0.0 112.141 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -76.39 -37.11 57.64 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.84 -36.35 80.93 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.304 1.041 . . . . 0.0 112.771 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.7 t -59.68 -21.07 60.04 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 175.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -78.86 -21.09 48.07 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.619 -1.301 . . . . 0.0 114.425 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -71.45 143.21 50.15 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.206 0.912 . . . . 0.0 112.599 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 t -72.7 166.32 23.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.998 1.319 . . . . 0.0 112.602 168.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -58.65 -34.17 70.92 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.361 1.464 . . . . 0.0 114.365 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -84.84 -26.27 27.54 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.899 1.28 . . . . 0.0 113.207 175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -75.2 -42.08 56.44 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.018 -1.052 . . . . 0.0 112.004 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.92 -31.27 72.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.273 0.629 . . . . 0.0 111.903 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.86 -49.6 72.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.192 0.597 . . . . 0.0 111.749 171.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.02 -40.99 97.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.007 0.523 . . . . 0.0 112.075 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.1 tp -62.18 -50.82 70.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.165 0.986 . . . . 0.0 112.181 174.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.08 -37.87 86.87 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.56 -45.67 86.05 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.711 0.804 . . . . 0.0 111.223 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -57.56 -47.93 80.73 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.345 1.058 . . . . 0.0 111.936 175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -60.95 -38.89 87.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.544 0.737 . . . . 0.0 112.04 173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -66.63 -50.89 61.49 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.553 0.741 . . . . 0.0 112.545 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -63.23 -32.74 74.22 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.637 0.653 . . . . 0.0 111.674 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -62.43 -51.42 67.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.65 0.78 . . . . 0.0 112.126 173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.1 -26.0 66.49 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.44 1.018 . . . . 0.0 113.543 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.99 -42.54 57.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 112.367 174.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.16 -31.72 69.34 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.345 -0.847 . . . . 0.0 112.595 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -78.02 -4.02 45.03 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.913 1.285 . . . . 0.0 113.928 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.246 0 C-N-CA 125.657 1.598 . . . . 0.0 114.062 178.383 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 CA-C-O 119.152 -0.805 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.25 65.5 7.91 Favored 'Trans proline' 0 CA--C 1.547 1.156 1 C-N-CA 125.318 4.012 . . . . 0.0 112.45 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.8 -173.93 49.32 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.686 1.136 . . . . 0.0 114.262 -176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 16.0 m 58.79 26.39 14.68 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.21 1.804 . . . . 0.0 115.649 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -59.05 -29.68 67.48 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.343 1.057 . . . . 0.0 113.477 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -69.19 -27.61 65.65 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.579 1.151 . . . . 0.0 113.717 178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -151.88 71.55 7.97 Favored Pre-proline 0 N--CA 1.481 1.075 0 C-N-CA 125.332 1.453 . . . . 0.0 111.261 -175.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -67.73 134.89 33.94 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.179 2.586 . . . . 0.0 111.729 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 6.2 t -75.91 -10.56 59.52 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -78.36 -5.89 53.55 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 35.3 t -64.09 136.92 57.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -91.28 6.55 44.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.665 1.586 . . . . 0.0 112.905 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.18 -11.04 50.61 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.809 1.195 . . . . 0.0 115.228 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -60.18 -27.42 67.12 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.352 1.061 . . . . 0.0 112.875 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -65.21 -39.61 93.03 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.758 1.223 . . . . 0.0 113.1 -176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -68.86 -39.12 80.06 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.446 0.699 . . . . 0.0 111.782 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -67.55 -33.84 75.86 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.261 0.625 . . . . 0.0 112.043 173.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.17 -46.94 75.64 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.359 -0.838 . . . . 0.0 111.344 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.4 mp -58.91 -38.5 79.06 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.983 -1.073 . . . . 0.0 112.077 171.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -63.1 -45.41 92.18 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.3 ptm85 -71.91 -36.24 69.94 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.366 0.985 . . . . 0.0 113.565 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.1 mp -59.63 -30.22 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.664 1.186 . . . . 0.0 112.695 176.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -62.78 -29.29 70.6 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -80.76 -22.51 40.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -168.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.51 143.37 54.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.141 0.976 . . . . 0.0 112.951 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 48.7 m -70.48 166.59 20.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.09 1.356 . . . . 0.0 111.779 163.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -58.75 -40.17 83.09 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -69.36 -39.85 77.84 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.522 -0.736 . . . . 0.0 112.769 173.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -68.93 -41.78 77.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.488 1.115 . . . . 0.0 112.219 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.23 -32.43 74.1 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.696 -0.628 . . . . 0.0 112.297 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 67.0 mtm -72.85 -40.46 65.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 118.39 0.541 . . . . 0.0 112.403 174.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.66 -40.57 95.4 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.572 0.624 . . . . 0.0 111.603 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -64.37 -50.66 66.83 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.502 1.121 . . . . 0.0 111.902 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.97 85.78 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.62 -0.675 . . . . 0.0 112.36 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.08 -44.0 85.7 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.233 1.013 . . . . 0.0 111.386 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -59.77 -41.81 91.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.141 0.976 . . . . 0.0 112.334 173.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.05 -43.63 98.42 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.992 0.917 . . . . 0.0 111.508 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -65.66 -49.03 70.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.316 0.646 . . . . 0.0 112.718 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -65.65 -29.82 70.44 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.886 0.766 . . . . 0.0 112.893 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -63.94 -49.01 74.25 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.287 -0.883 . . . . 0.0 112.621 171.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -69.44 -25.49 64.13 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.63 -39.69 70.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.215 1.006 . . . . 0.0 112.227 171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -65.96 -29.92 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.152 -0.968 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -75.59 -8.7 57.44 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.918 1.287 . . . . 0.0 114.133 171.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.369 0 C-N-CA 125.731 1.634 . . . . 0.0 114.919 -175.407 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -66.28 156.3 65.72 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.879 3.053 . . . . 0.0 112.929 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.3 146.72 34.94 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 124.715 1.15 . . . . 0.0 113.144 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -157.63 161.92 38.66 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.942 1.297 . . . . 0.0 112.502 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.4 mtp 46.29 55.78 6.98 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.643 1.977 . . . . 0.0 115.368 170.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -129.71 18.29 5.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 129.487 3.115 . . . . 0.0 112.282 5.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -67.99 144.55 97.2 Favored Pre-proline 0 N--CA 1.479 1.005 0 C-N-CA 124.629 1.171 . . . . 0.0 111.949 -175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -73.95 160.67 42.73 Favored 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 123.644 2.896 . . . . 0.0 112.829 172.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 m -66.56 144.47 56.42 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.238 1.015 . . . . 0.0 110.901 168.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.7 t -132.17 111.92 11.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.768 1.227 . . . . 0.0 111.452 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -155.43 10.38 0.31 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.435 1.494 . . . . 0.0 113.802 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 59.16 -71.91 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.842 2.457 . . . . 0.0 113.811 -165.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.52 -46.48 1.09 Allowed Glycine 0 CA--C 1.536 1.356 0 C-N-CA 126.635 2.064 . . . . 0.0 115.794 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -64.35 -27.37 68.97 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.829 1.252 . . . . 0.0 113.663 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -66.7 -41.88 87.31 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.46 1.104 . . . . 0.0 112.74 -175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.43 -37.93 80.71 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.993 0.917 . . . . 0.0 111.522 176.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.64 -35.38 80.02 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.098 -1.001 . . . . 0.0 112.437 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -69.23 -43.79 73.34 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.368 -0.833 . . . . 0.0 111.439 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.5 -44.76 81.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.578 0.751 . . . . 0.0 111.694 168.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -57.76 -42.5 84.11 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.215 -0.928 . . . . 0.0 112.757 177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -77.12 -33.97 56.74 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.524 1.056 . . . . 0.0 113.701 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -63.7 -35.04 79.25 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.569 1.148 . . . . 0.0 112.335 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.5 t -55.53 -30.48 60.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.834 1.254 . . . . 0.0 113.944 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -75.43 -22.17 57.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.604 1.161 . . . . 0.0 114.125 -170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -70.38 143.71 51.81 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.871 1.268 . . . . 0.0 112.375 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.3 t -70.57 167.37 18.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.261 1.424 . . . . 0.0 112.417 169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -58.17 -37.21 74.26 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.409 1.484 . . . . 0.0 113.952 -173.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -76.59 -38.89 54.1 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.481 -0.762 . . . . 0.0 112.887 172.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -67.12 -40.23 86.8 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.689 1.196 . . . . 0.0 112.488 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.6 -29.23 69.8 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 121.47 -0.769 . . . . 0.0 112.427 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.9 mtt -71.53 -44.76 64.01 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.692 -0.63 . . . . 0.0 111.227 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.4 91.24 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.325 0.65 . . . . 0.0 112.051 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -59.09 -54.4 47.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.139 1.376 . . . . 0.0 111.364 172.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.77 92.25 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.47 -46.91 86.34 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.77 1.228 . . . . 0.0 111.142 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.13 -47.59 82.83 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.734 1.213 . . . . 0.0 111.774 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.93 -38.02 84.36 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.728 0.811 . . . . 0.0 112.595 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -68.16 -49.13 62.96 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.816 0.846 . . . . 0.0 112.335 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -64.34 -30.75 71.79 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 119.005 0.821 . . . . 0.0 112.257 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -63.33 -47.38 82.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.881 0.872 . . . . 0.0 113.0 174.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.51 -26.87 63.79 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.187 -0.946 . . . . 0.0 112.961 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.24 -36.95 82.72 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.0 0.818 . . . . 0.0 112.043 171.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -68.84 -23.25 64.22 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 173.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -75.83 -13.0 60.27 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 171.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.882 1.706 . . . . 0.0 113.44 179.079 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.29 -28.13 23.08 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.361 2.707 . . . . 0.0 114.089 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.17 162.22 19.69 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.912 1.244 . . . . 0.0 113.42 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 19.5 m -84.08 6.32 22.69 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.081 1.352 . . . . 0.0 114.288 -177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.6 ptm -63.32 158.19 21.02 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.266 1.426 . . . . 0.0 114.421 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -145.75 158.62 43.84 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.931 1.693 . . . . 0.0 111.077 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -63.58 143.91 97.85 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.818 1.247 . . . . 0.0 113.129 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -72.54 154.91 55.26 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.801 3.001 . . . . 0.0 112.315 177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.3 t -159.6 155.96 27.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.362 1.465 . . . . 0.0 111.383 173.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 35.5 t -155.84 140.67 17.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.843 1.257 . . . . 0.0 111.676 171.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -76.96 -17.93 58.57 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.755 1.222 . . . . 0.0 113.77 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -132.3 -179.99 5.77 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.557 1.943 . . . . 0.0 112.782 -168.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.2 2.16 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 125.391 1.472 . . . . 0.0 114.182 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -61.97 -28.84 69.84 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.291 1.036 . . . . 0.0 112.387 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -63.97 -41.56 97.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.099 1.76 . . . . 0.0 112.308 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -67.24 -40.69 86.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.769 0.828 . . . . 0.0 111.495 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -66.07 -35.12 79.67 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.544 0.738 . . . . 0.0 112.083 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -67.07 -48.82 67.08 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.669 -0.644 . . . . 0.0 111.657 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.53 -38.04 76.93 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.096 -1.003 . . . . 0.0 112.253 172.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -64.38 -51.0 65.46 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.487 0.715 . . . . 0.0 112.848 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -70.61 -33.93 71.56 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.3 -29.52 67.67 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.286 1.034 . . . . 0.0 112.747 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.1 t -64.24 -26.14 68.37 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -80.99 -22.12 39.71 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.268 1.427 . . . . 0.0 113.997 -174.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.86 144.37 49.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 111.491 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 30.7 t -65.34 162.35 17.74 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.24 1.016 . . . . 0.0 112.109 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -56.96 -35.59 69.29 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.756 1.222 . . . . 0.0 113.284 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -78.14 -37.22 46.54 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 118.828 0.74 . . . . 0.0 112.849 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -67.81 -40.53 83.86 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.126 0.97 . . . . 0.0 112.52 -176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.15 -29.83 70.62 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.588 -0.695 . . . . 0.0 112.812 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.7 mtt -72.19 -43.41 64.55 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.181 0.901 . . . . 0.0 111.253 173.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.92 83.8 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.39 0.676 . . . . 0.0 112.589 176.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.8 tp -62.72 -50.86 69.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.237 1.015 . . . . 0.0 112.075 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.65 88.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.5 -44.82 93.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 111.682 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.06 -45.07 91.7 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.302 1.041 . . . . 0.0 111.711 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.36 -41.43 98.59 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.756 0.822 . . . . 0.0 112.208 172.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.99 -45.61 91.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.556 1.143 . . . . 0.0 112.587 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -68.05 -33.41 74.51 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.612 0.642 . . . . 0.0 112.224 176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -67.08 -40.62 87.01 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.915 1.286 . . . . 0.0 113.76 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -74.68 -16.95 60.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.2 mp -91.48 -41.83 10.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.596 1.158 . . . . 0.0 113.591 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -144.01 166.35 25.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.783 1.633 . . . . 0.0 112.59 -172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -138.87 153.06 48.27 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.305 1.842 . . . . 0.0 111.726 -177.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.204 0 C-N-CA 124.895 1.236 . . . . 0.0 113.203 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 CA-C-O 119.67 -0.517 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -60.48 162.11 18.67 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 124.215 3.277 . . . . 0.0 114.181 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.37 179.55 37.61 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 124.675 1.131 . . . . 0.0 113.696 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -64.66 154.21 37.17 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.938 0.895 . . . . 0.0 113.159 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.5 ttm -148.42 145.64 28.1 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.812 1.645 . . . . 0.0 111.736 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -146.3 169.33 19.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.069 1.748 . . . . 0.0 110.433 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -56.85 139.36 77.64 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.47 1.108 . . . . 0.0 113.603 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -63.33 155.34 62.58 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.178 2.586 . . . . 0.0 113.904 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -141.77 124.51 16.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.428 1.491 . . . . 0.0 110.16 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -73.59 152.6 40.52 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.725 1.21 . . . . 0.0 112.974 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.6 p -154.53 160.3 41.45 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.488 1.115 . . . . 0.0 112.511 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -84.81 29.81 0.6 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 124.58 1.152 . . . . 0.0 113.262 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.06 -19.8 39.61 Favored Glycine 0 CA--C 1.539 1.576 0 O-C-N 120.537 -1.352 . . . . 0.0 115.838 -172.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.2 p-90 -63.47 -26.9 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.521 1.16 . . . . 0.0 112.873 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -69.5 -38.42 77.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.865 0.866 . . . . 0.0 112.203 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -65.98 -39.52 90.44 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.324 0.65 . . . . 0.0 111.543 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -62.35 -45.6 92.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.957 0.903 . . . . 0.0 111.139 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -64.02 -47.02 81.89 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.662 -0.649 . . . . 0.0 112.092 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.44 -40.14 93.37 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.831 -1.168 . . . . 0.0 112.134 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.0 t -63.91 -49.88 70.9 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.435 -0.791 . . . . 0.0 112.518 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 -72.02 -31.25 66.02 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.8 -31.14 70.54 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.16 0.984 . . . . 0.0 112.805 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -24.04 67.25 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -78.76 -22.29 46.64 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.961 1.304 . . . . 0.0 113.847 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -72.1 145.77 47.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.148 0.979 . . . . 0.0 112.742 -178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -65.94 162.36 19.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.625 1.17 . . . . 0.0 111.628 164.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -56.51 -37.55 70.58 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 113.196 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -74.49 -32.1 62.43 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -76.14 -40.62 52.26 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.612 1.165 . . . . 0.0 112.216 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.16 -32.45 73.9 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.573 -0.704 . . . . 0.0 111.939 173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.2 mtm -67.81 -45.03 75.89 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 119.067 -0.492 . . . . 0.0 111.663 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.33 95.94 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.84 0.745 . . . . 0.0 111.844 176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.7 tp -63.52 -48.55 77.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.087 0.955 . . . . 0.0 112.519 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.06 84.3 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.846 -0.534 . . . . 0.0 112.079 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.0 -45.64 88.08 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.562 1.145 . . . . 0.0 111.098 173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -58.36 -42.59 87.31 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.646 1.179 . . . . 0.0 111.769 175.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.26 -40.13 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.423 -0.798 . . . . 0.0 112.256 173.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 tptt -66.03 -46.94 76.06 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.261 0.482 . . . . 0.0 112.148 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -63.9 -33.75 76.41 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.76 0.709 . . . . 0.0 112.087 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -52.22 66.54 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.064 -1.023 . . . . 0.0 112.35 172.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.58 -24.38 62.75 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 119.184 0.902 . . . . 0.0 113.401 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.11 -41.31 64.15 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 112.082 171.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.98 -32.01 68.73 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.277 -0.89 . . . . 0.0 112.918 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -78.32 -4.3 47.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.168 1.387 . . . . 0.0 113.946 172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.334 0 C-N-CA 125.522 1.534 . . . . 0.0 113.738 178.477 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -59.23 154.51 45.84 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.248 3.299 . . . . 0.0 114.216 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -76.82 41.59 1.72 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 126.0 1.762 . . . . 0.0 114.647 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 28.6 t -70.1 -24.25 63.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.486 1.515 . . . . 0.0 113.879 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 54.5 tpp -149.44 142.13 24.55 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.85 1.66 . . . . 0.0 110.257 -172.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.1 166.83 22.31 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 129.058 2.943 . . . . 0.0 112.506 -7.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -135.99 151.45 73.81 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.769 1.627 . . . . 0.0 111.968 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -62.21 168.77 8.8 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.812 3.008 . . . . 0.0 113.782 168.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -64.59 148.59 50.52 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.422 1.089 . . . . 0.0 113.103 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 80.9 p -80.62 -3.77 51.69 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.402 1.481 . . . . 0.0 113.488 169.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 29.0 t -59.18 140.32 56.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.453 1.101 . . . . 0.0 112.845 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 57.07 18.52 4.09 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.606 1.962 . . . . 0.0 114.743 -173.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.46 -0.27 57.51 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.243 1.401 . . . . 0.0 115.756 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 46.1 p-90 -59.36 -27.55 66.05 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.962 1.381 . . . . 0.0 113.285 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.69 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.155 1.382 . . . . 0.0 112.846 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -66.59 -43.79 83.95 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.651 0.781 . . . . 0.0 111.624 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.25 -36.78 85.19 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.22 -0.925 . . . . 0.0 111.673 172.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.54 -44.33 82.7 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.428 0.558 . . . . 0.0 111.539 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.01 -42.91 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.854 -1.154 . . . . 0.0 111.664 170.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 64.8 m -60.3 -39.9 88.59 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -82.77 -34.98 26.94 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.96 -38.12 84.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.968 0.907 . . . . 0.0 112.577 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.7 t -62.46 -19.24 63.34 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -75.18 -22.36 58.09 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.7 143.38 42.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.798 0.839 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.8 t -71.72 168.6 17.43 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.475 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -56.69 -36.14 69.29 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.565 1.546 . . . . 0.0 113.882 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -81.69 -34.13 30.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.271 1.029 . . . . 0.0 113.236 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -70.3 -40.73 74.08 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.342 1.057 . . . . 0.0 112.358 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.69 -28.18 69.43 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.2 mtt -71.08 -46.44 61.84 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.511 -0.743 . . . . 0.0 111.675 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 -38.96 85.0 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.386 0.539 . . . . 0.0 111.967 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.78 -58.14 9.91 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.94 1.296 . . . . 0.0 111.057 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.86 -36.43 84.33 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.52 -45.16 91.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.66 1.584 . . . . 0.0 111.339 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -59.55 -45.99 90.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.245 1.018 . . . . 0.0 111.331 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.3 mp -60.21 -40.75 91.21 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.991 0.916 . . . . 0.0 112.418 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.44 -48.67 69.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.782 0.833 . . . . 0.0 112.064 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -63.86 -32.14 73.56 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.827 0.74 . . . . 0.0 112.311 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -63.54 -49.32 73.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.824 0.85 . . . . 0.0 112.526 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -66.39 -29.79 70.03 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.295 0.952 . . . . 0.0 113.228 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.43 -39.54 67.79 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.334 1.053 . . . . 0.0 112.396 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -67.19 -29.75 69.5 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.418 -0.801 . . . . 0.0 112.594 176.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.44 -27.09 63.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.343 0 CA-C-O 118.27 -1.294 . . . . 0.0 113.942 -178.817 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 CA-C-O 119.946 -0.363 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.08 -31.28 46.12 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.625 2.883 . . . . 0.0 115.003 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.83 165.31 52.34 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.985 1.279 . . . . 0.0 114.336 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.6 t -152.87 143.18 22.51 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.841 1.256 . . . . 0.0 111.804 177.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 57.3 ttm -73.23 137.25 44.87 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.526 1.13 . . . . 0.0 111.853 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -76.34 -24.74 54.27 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.317 1.229 . . . . 0.0 114.317 -176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -68.96 144.73 96.04 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 124.687 1.195 . . . . 0.0 112.19 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.65 -28.3 17.4 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.977 2.451 . . . . 0.0 113.566 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 54.9 m 63.21 -52.05 0.2 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 128.13 2.572 . . . . 0.0 115.133 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 t -81.47 -4.01 54.66 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.908 1.683 . . . . 0.0 114.175 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m 58.72 27.61 16.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.96 1.704 . . . . 0.0 114.351 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.6 p-10 -79.68 37.2 0.34 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.286 1.834 . . . . 0.0 113.459 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.3 -9.96 45.44 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 125.551 1.548 . . . . 0.0 115.259 -177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.4 p-90 -58.21 -28.86 65.22 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.621 1.21 . . . . 0.0 112.377 171.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.83 -37.99 89.42 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.799 1.24 . . . . 0.0 112.778 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -66.4 -41.85 88.72 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.428 0.691 . . . . 0.0 111.866 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.08 -34.53 78.29 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -67.31 -46.93 72.07 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.494 -0.754 . . . . 0.0 111.578 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.56 -38.9 78.81 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 120.59 -1.319 . . . . 0.0 111.747 171.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.9 t -64.15 -45.15 89.75 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.548 0.739 . . . . 0.0 112.271 176.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -69.99 -39.13 76.11 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 119.037 0.835 . . . . 0.0 112.719 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.2 -31.48 71.24 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.774 1.23 . . . . 0.0 112.468 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -61.13 -25.35 66.93 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -79.92 -22.06 43.17 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -71.86 146.36 47.99 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 112.664 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 164.86 18.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.912 1.285 . . . . 0.0 111.773 164.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -56.74 -40.0 74.97 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.193 1.397 . . . . 0.0 113.092 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -71.35 -36.64 71.57 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.671 1.188 . . . . 0.0 112.718 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -74.43 -40.49 61.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.227 1.011 . . . . 0.0 112.655 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -65.56 -32.22 73.69 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.393 -0.817 . . . . 0.0 112.161 173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.4 mtm -66.21 -46.74 76.23 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.457 0.703 . . . . 0.0 111.54 172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.82 97.85 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.6 tp -64.61 -48.55 74.51 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.07 0.948 . . . . 0.0 112.273 176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.47 81.16 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.702 -0.624 . . . . 0.0 112.286 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.49 -44.32 91.33 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.734 1.214 . . . . 0.0 111.553 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -59.69 -46.87 87.75 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.757 1.223 . . . . 0.0 111.767 174.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.31 -37.69 81.36 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.886 0.874 . . . . 0.0 112.146 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -69.49 -50.18 47.76 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.575 0.625 . . . . 0.0 112.412 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -66.49 -28.55 68.66 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.429 1.013 . . . . 0.0 112.514 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -59.63 -42.16 92.07 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.067 0.947 . . . . 0.0 113.031 173.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -79.79 -35.09 39.03 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 173.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 tp -71.1 -40.56 71.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -85.29 -5.47 59.31 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.697 1.199 . . . . 0.0 114.191 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.3 144.23 50.99 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.966 1.306 . . . . 0.0 113.564 -174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.326 0 CA-C-O 117.903 -1.498 . . . . 0.0 113.4 -178.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.156 -0.377 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.29 149.24 90.31 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.177 3.251 . . . . 0.0 113.899 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.4 -13.55 83.45 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.127 1.346 . . . . 0.0 114.919 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 26.0 t -155.38 160.35 40.62 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.429 1.891 . . . . 0.0 110.547 177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.0 ptm -146.29 142.23 28.1 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.492 1.117 . . . . 0.0 113.315 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -160.14 151.58 19.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.673 2.389 . . . . 0.0 109.903 171.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -79.76 123.8 83.74 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-O 117.898 -1.049 . . . . 0.0 111.222 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -67.52 163.86 33.23 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.768 2.979 . . . . 0.0 114.296 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.0 t -155.43 146.82 22.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.048 1.339 . . . . 0.0 111.605 168.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -160.47 147.29 15.66 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.991 1.316 . . . . 0.0 112.192 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -107.51 -2.82 20.02 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.839 1.656 . . . . 0.0 112.781 171.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -126.32 -7.81 6.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.918 1.687 . . . . 0.0 114.882 -168.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.31 -21.56 62.22 Favored Glycine 0 N--CA 1.476 1.332 0 O-C-N 120.967 -1.083 . . . . 0.0 114.893 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -68.47 -24.68 64.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.934 1.294 . . . . 0.0 113.269 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.58 -35.64 79.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.138 0.975 . . . . 0.0 113.184 -172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -66.38 -42.17 88.35 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.989 0.916 . . . . 0.0 111.732 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -67.15 -35.1 78.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.685 0.794 . . . . 0.0 112.142 173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -68.1 -42.97 79.51 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.753 -0.592 . . . . 0.0 111.876 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.06 -45.29 87.33 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.853 -1.154 . . . . 0.0 111.763 168.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -58.88 -44.01 91.03 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.245 0.618 . . . . 0.0 112.579 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -75.56 -35.29 60.68 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.04 -36.46 81.65 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.366 1.066 . . . . 0.0 112.956 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 28.7 p -60.15 -19.54 54.26 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -82.52 -21.43 35.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.272 1.429 . . . . 0.0 114.507 -175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.47 145.15 49.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.753 0.821 . . . . 0.0 112.415 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.5 t -71.76 167.95 18.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.97 1.308 . . . . 0.0 112.399 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -57.0 -36.72 70.72 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.754 1.622 . . . . 0.0 113.699 -171.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 -83.47 -32.12 26.18 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.933 0.893 . . . . 0.0 113.156 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -69.92 -41.55 74.49 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.221 1.009 . . . . 0.0 112.417 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.49 -32.57 74.27 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.603 -0.686 . . . . 0.0 112.004 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.7 mtt -67.99 -47.84 67.42 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.031 -0.418 . . . . 0.0 111.448 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.59 88.36 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 122.932 0.493 . . . . 0.0 112.014 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.6 tp -64.39 -50.7 66.61 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.093 0.957 . . . . 0.0 112.148 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.26 -39.2 93.45 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.427 -0.796 . . . . 0.0 112.316 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -41.15 92.85 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.738 1.215 . . . . 0.0 111.893 176.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -58.45 -49.56 76.87 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.786 1.234 . . . . 0.0 111.241 172.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.25 -39.87 80.27 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.726 0.81 . . . . 0.0 112.23 172.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -70.04 -47.71 60.89 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.462 0.705 . . . . 0.0 112.745 -178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -67.36 -29.03 68.46 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.137 0.88 . . . . 0.0 112.038 177.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -60.71 -48.3 82.41 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.394 0.997 . . . . 0.0 112.999 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.32 -23.62 61.97 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.164 0.893 . . . . 0.0 112.986 178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.46 -41.94 21.06 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.384 1.073 . . . . 0.0 113.459 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.41 -30.66 20.56 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -71.15 139.9 50.39 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.986 0.812 . . . . 0.0 112.272 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.256 0 C-N-CA 125.456 1.503 . . . . 0.0 112.798 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 CA-C-O 118.457 -1.19 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -66.79 100.21 0.49 Allowed 'Trans proline' 0 CA--C 1.547 1.131 0 C-N-CA 123.664 2.909 . . . . 0.0 111.209 173.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.96 -140.61 46.95 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.49 0.566 . . . . 0.0 112.033 -170.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.5 m -69.64 -19.78 63.61 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.0 mtt -85.43 161.65 19.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.472 1.509 . . . . 0.0 113.29 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -95.83 152.92 18.05 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.137 0.975 . . . . 0.0 110.964 162.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -68.04 137.73 92.19 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 124.644 1.178 . . . . 0.0 111.195 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.71 -27.95 31.34 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.478 2.119 . . . . 0.0 113.816 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.7 p -94.45 144.08 25.86 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.279 1.431 . . . . 0.0 111.869 172.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.1 p -157.11 156.08 32.15 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.376 1.07 . . . . 0.0 112.386 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.3 p -161.27 172.58 16.39 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.592 1.557 . . . . 0.0 111.655 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -66.13 -4.75 8.08 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.823 1.249 . . . . 0.0 114.248 169.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.78 -18.92 41.15 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.142 1.353 . . . . 0.0 115.092 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -59.1 -31.03 68.54 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.686 1.243 . . . . 0.0 112.648 172.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -67.56 -39.92 84.92 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.367 1.067 . . . . 0.0 112.143 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -65.46 -40.82 93.67 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.933 0.893 . . . . 0.0 111.833 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -65.99 -34.7 78.69 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.301 -0.874 . . . . 0.0 112.527 172.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -69.29 -43.42 73.88 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.403 -0.811 . . . . 0.0 111.511 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.76 -42.04 92.37 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.107 -0.996 . . . . 0.0 111.3 170.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -61.16 -38.84 87.88 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -76.18 -41.71 48.81 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 119.327 0.967 . . . . 0.0 112.915 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 mp -61.13 -39.05 88.59 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.618 1.167 . . . . 0.0 112.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -54.9 -28.81 53.47 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.661 1.185 . . . . 0.0 113.943 176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -74.32 -22.17 59.37 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -75.19 144.81 42.51 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.724 0.81 . . . . 0.0 112.68 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -71.0 167.24 19.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.144 1.378 . . . . 0.0 111.874 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -55.62 -38.78 69.95 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.887 1.675 . . . . 0.0 113.947 -172.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -83.42 -26.34 30.47 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.606 1.162 . . . . 0.0 113.255 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -77.81 -40.88 39.11 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.428 1.091 . . . . 0.0 112.082 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.02 -28.56 70.18 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.332 0.653 . . . . 0.0 112.035 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtt -66.9 -43.39 83.51 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.863 0.465 . . . . 0.0 111.748 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.63 91.71 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.705 0.684 . . . . 0.0 112.053 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.23 -52.27 62.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.426 1.09 . . . . 0.0 111.089 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.65 90.78 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.51 -43.43 94.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.239 1.416 . . . . 0.0 110.872 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -58.84 -48.1 82.51 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.305 1.042 . . . . 0.0 111.276 174.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.69 -39.72 85.47 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.84 0.856 . . . . 0.0 112.338 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -69.58 -49.25 55.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.551 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -64.11 -30.76 71.8 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.522 1.056 . . . . 0.0 112.051 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -61.0 -43.09 99.37 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.914 0.886 . . . . 0.0 112.929 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -77.7 -37.99 48.33 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.8 -41.21 19.41 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -168.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -89.51 -19.47 25.01 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -170.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -74.48 149.34 40.36 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.532 -0.73 . . . . 0.0 112.155 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 C-N-CA 125.349 1.452 . . . . 0.0 112.722 179.687 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.893 -0.483 . . . . 0.0 111.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -69.79 160.73 48.62 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 123.966 3.111 . . . . 0.0 113.213 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.36 -160.1 15.08 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.608 1.099 . . . . 0.0 113.916 171.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 99.2 p -62.73 150.02 42.3 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.969 0.908 . . . . 0.0 112.792 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -71.24 -27.84 63.75 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -171.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -155.57 157.2 36.43 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.232 1.413 . . . . 0.0 111.687 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -65.09 156.57 80.35 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.897 1.279 . . . . 0.0 111.857 173.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -59.56 141.97 98.11 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.465 2.776 . . . . 0.0 114.263 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 99.8 m -89.8 137.5 32.28 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.654 1.182 . . . . 0.0 110.252 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 73.3 m -86.65 155.2 20.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 128.593 2.757 . . . . 0.0 112.509 -7.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.0 m -65.41 -20.51 66.41 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -77.01 3.83 11.43 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.009 1.324 . . . . 0.0 114.075 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.87 -6.9 10.32 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.663 1.602 . . . . 0.0 115.967 176.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -58.11 -29.31 65.38 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.594 1.197 . . . . 0.0 112.527 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.11 -37.23 85.23 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.594 1.158 . . . . 0.0 112.844 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -68.21 -41.21 81.65 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.449 0.7 . . . . 0.0 111.279 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.83 -38.19 90.17 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.656 0.782 . . . . 0.0 112.136 172.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.71 -47.72 80.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.451 0.7 . . . . 0.0 111.409 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.86 -37.08 83.18 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.043 -1.036 . . . . 0.0 112.414 174.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -67.32 -46.98 71.86 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.614 -0.679 . . . . 0.0 112.541 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -74.71 -30.23 61.46 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.358 1.063 . . . . 0.0 113.648 -177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.46 -34.17 70.56 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.041 0.936 . . . . 0.0 113.007 174.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.3 t -62.5 -23.06 66.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -77.39 -22.17 52.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.185 1.394 . . . . 0.0 114.077 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.75 145.44 40.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.671 1.188 . . . . 0.0 111.809 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 29.5 t -65.76 163.95 15.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.624 1.17 . . . . 0.0 111.756 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.04 -36.6 72.99 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.783 1.233 . . . . 0.0 113.238 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -73.76 -38.25 64.78 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.357 0.663 . . . . 0.0 111.813 173.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -71.75 -41.03 68.93 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.581 1.152 . . . . 0.0 112.582 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -62.67 -33.12 74.41 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.649 0.658 . . . . 0.0 112.364 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.7 mtm -72.45 -40.57 66.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 122.935 0.494 . . . . 0.0 111.917 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.87 96.56 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 118.587 0.63 . . . . 0.0 111.902 173.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.2 tp -63.2 -49.54 73.83 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.452 1.101 . . . . 0.0 112.104 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.73 88.57 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.16 -40.88 86.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.106 0.962 . . . . 0.0 111.828 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.48 -46.96 85.58 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.573 1.149 . . . . 0.0 111.731 172.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -40.29 87.84 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.678 0.791 . . . . 0.0 112.078 172.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -66.28 -49.84 65.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.685 0.675 . . . . 0.0 112.086 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -64.81 -30.72 71.73 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.853 0.751 . . . . 0.0 112.384 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -62.39 -52.49 63.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.579 0.752 . . . . 0.0 111.868 172.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.96 -29.66 69.57 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.4 1.0 . . . . 0.0 113.037 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.77 -33.7 76.2 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.289 -0.882 . . . . 0.0 112.799 173.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -77.8 -34.05 52.27 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.198 0.908 . . . . 0.0 112.948 172.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -72.74 -27.09 61.83 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.385 1.074 . . . . 0.0 113.782 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.342 0 C-N-CA 125.685 1.612 . . . . 0.0 114.359 -178.756 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.55 155.83 67.65 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 123.814 3.01 . . . . 0.0 112.732 179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.67 178.91 34.45 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.828 1.204 . . . . 0.0 114.99 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -145.02 147.54 32.74 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.434 1.493 . . . . 0.0 111.977 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 51.7 mtt 60.41 178.23 0.1 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.814 2.046 . . . . 0.0 114.448 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -73.5 -10.36 59.64 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -65.5 123.63 85.0 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.699 1.2 . . . . 0.0 112.386 -176.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -68.51 175.45 6.98 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.821 3.014 . . . . 0.0 113.293 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.5 p -73.42 38.04 0.09 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.585 1.554 . . . . 0.0 113.91 175.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.7 t -154.88 154.34 32.54 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.556 1.542 . . . . 0.0 112.599 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.9 m -81.58 -8.63 59.74 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.561 1.544 . . . . 0.0 114.301 177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.8 p30 -145.88 -174.49 4.43 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.28 1.432 . . . . 0.0 111.808 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.01 -38.8 2.0 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.295 1.426 . . . . 0.0 113.537 -174.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -60.95 -31.07 70.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.139 0.976 . . . . 0.0 112.2 172.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.61 -39.35 91.44 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.714 1.605 . . . . 0.0 112.8 -177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -69.56 -38.53 77.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.598 0.759 . . . . 0.0 111.781 176.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -67.31 -33.14 74.65 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.056 0.542 . . . . 0.0 111.677 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -67.98 -44.94 75.5 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.303 -0.873 . . . . 0.0 111.438 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.63 -41.82 86.85 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.167 -0.958 . . . . 0.0 111.697 169.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -62.09 -37.57 85.56 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -79.11 -37.88 37.55 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.407 1.003 . . . . 0.0 113.028 175.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.7 mp -61.94 -38.72 89.52 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.143 0.977 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.6 t -60.87 -20.64 62.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -75.79 -21.87 56.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.2 146.07 43.65 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.757 0.823 . . . . 0.0 112.709 -177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 t -71.99 167.91 19.14 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.995 1.318 . . . . 0.0 112.041 168.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -57.28 -38.0 73.26 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.159 1.384 . . . . 0.0 114.006 -171.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -75.93 -37.83 58.28 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.908 0.883 . . . . 0.0 112.871 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -69.83 -40.24 75.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 113.157 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.63 -31.61 72.91 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.846 0.748 . . . . 0.0 112.29 175.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 61.1 mtm -75.15 -39.48 60.4 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.173 174.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.83 94.26 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.899 0.772 . . . . 0.0 111.911 171.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.91 -51.86 66.45 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.731 1.213 . . . . 0.0 111.615 174.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.0 86.11 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.83 -42.14 86.31 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.022 0.929 . . . . 0.0 111.66 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.62 -46.54 83.99 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.237 1.015 . . . . 0.0 111.337 172.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.24 -39.51 86.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.942 0.897 . . . . 0.0 112.163 172.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.06 -45.84 69.37 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 112.724 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -65.71 -32.22 73.65 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 118.965 0.802 . . . . 0.0 111.9 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.36 -45.51 93.23 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.344 0.975 . . . . 0.0 112.533 175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.83 -21.41 59.3 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.3 mp -83.4 -42.63 16.78 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.273 1.029 . . . . 0.0 112.745 174.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -76.48 -23.21 53.8 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -172.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -72.34 -11.49 60.72 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.578 1.561 . . . . 0.0 114.545 176.685 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 CA-C-O 120.068 -0.296 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.5 153.59 65.4 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 124.052 3.168 . . . . 0.0 112.469 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.61 -16.3 71.19 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.093 0.854 . . . . 0.0 114.607 174.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 81.2 p -80.66 163.34 23.68 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.203 1.401 . . . . 0.0 112.88 176.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -150.08 161.58 42.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.998 1.719 . . . . 0.0 111.545 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -149.05 148.18 29.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.202 1.401 . . . . 0.0 111.564 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -75.27 131.62 77.78 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 124.892 1.277 . . . . 0.0 111.779 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.72 80.81 2.95 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.64 2.893 . . . . 0.0 110.578 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 58.6 p -72.45 -20.61 61.37 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.6 t -74.92 144.86 43.08 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.462 1.105 . . . . 0.0 113.368 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 84.9 p -149.91 132.29 15.61 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.793 1.637 . . . . 0.0 110.238 164.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.07 23.24 1.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 126.317 1.847 . . . . 0.0 114.826 -169.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.09 -20.91 60.93 Favored Glycine 0 N--CA 1.475 1.269 0 O-C-N 120.536 -1.352 . . . . 0.0 114.698 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -60.29 -32.13 70.91 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.497 -1.002 . . . . 0.0 112.179 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -67.77 -44.48 77.35 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 0.0 111.821 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.23 -39.43 89.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.655 0.782 . . . . 0.0 111.327 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -63.32 -36.47 83.79 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.664 -0.648 . . . . 0.0 112.468 172.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -69.2 -45.83 68.93 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.253 -0.904 . . . . 0.0 111.246 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -56.59 -39.97 74.46 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.09 -1.006 . . . . 0.0 111.822 170.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 16.7 t -64.26 -30.05 71.12 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.393 1.077 . . . . 0.0 113.666 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -84.76 -39.04 18.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 171.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.03 -36.81 84.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.72 1.208 . . . . 0.0 112.893 -176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -59.43 -23.81 62.98 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -75.58 -21.46 57.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.971 1.308 . . . . 0.0 113.628 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.19 144.16 42.82 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.928 0.891 . . . . 0.0 112.835 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t -72.42 168.52 18.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.497 1.519 . . . . 0.0 112.173 168.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -56.24 -42.37 77.22 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.071 1.348 . . . . 0.0 113.73 -172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.05 -37.01 67.01 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.766 0.826 . . . . 0.0 112.225 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -70.97 -42.57 69.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.708 1.203 . . . . 0.0 113.01 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.75 -34.35 77.69 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.774 -0.579 . . . . 0.0 111.579 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 69.2 mtm -74.33 -37.95 63.42 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.03 97.64 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.64 0.655 . . . . 0.0 111.945 172.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 69.0 tp -64.8 -48.65 73.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.268 1.027 . . . . 0.0 112.544 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.18 93.26 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.16 -40.62 90.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.161 0.984 . . . . 0.0 111.689 175.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.14 -49.37 77.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.098 0.959 . . . . 0.0 111.638 171.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.74 -37.98 77.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.378 1.071 . . . . 0.0 112.373 174.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -67.47 -55.57 13.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.822 0.849 . . . . 0.0 112.146 178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -64.74 -29.35 70.33 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.871 0.76 . . . . 0.0 112.39 -176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -56.67 -42.7 79.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.909 0.883 . . . . 0.0 113.163 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -85.49 -33.57 21.8 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 172.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 8.6 tp -81.23 -33.36 32.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -171.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -100.19 -13.33 18.96 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.75 155.93 38.15 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.206 0.912 . . . . 0.0 113.068 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.146 0 C-N-CA 125.781 1.658 . . . . 0.0 113.328 177.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 CA-C-O 119.175 -0.792 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.41 154.84 44.72 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 124.129 3.22 . . . . 0.0 114.246 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.5 -143.88 4.85 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.946 1.26 . . . . 0.0 113.442 175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -74.51 28.76 0.08 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.683 1.993 . . . . 0.0 113.993 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.3 ptp -149.63 162.99 39.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.823 2.049 . . . . 0.0 111.859 -173.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -63.94 152.45 39.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.938 0.895 . . . . 0.0 112.507 175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -62.16 134.72 94.66 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.609 1.164 . . . . 0.0 111.598 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.92 177.77 0.94 Allowed 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.99 3.127 . . . . 0.0 113.807 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.4 p -69.68 -11.98 61.27 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.0 m -72.23 57.45 0.36 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.289 2.236 . . . . 0.0 113.162 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -67.32 -16.49 64.29 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.42 -4.05 10.11 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 -171.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.75 -22.37 46.89 Favored Glycine 0 CA--C 1.54 1.633 0 CA-C-N 119.682 1.128 . . . . 0.0 115.46 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -65.44 -27.86 68.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.808 1.304 . . . . 0.0 113.263 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -67.01 -34.93 78.8 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.249 1.02 . . . . 0.0 112.793 -174.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -65.62 -40.05 92.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.8 0.84 . . . . 0.0 112.005 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -68.33 -36.98 80.09 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.318 -0.864 . . . . 0.0 111.804 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.35 -40.26 77.62 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.465 -0.772 . . . . 0.0 111.71 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.3 -44.46 92.53 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 120.657 -1.277 . . . . 0.0 111.209 168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -58.0 -43.45 86.64 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.856 -0.527 . . . . 0.0 112.229 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -74.63 -36.73 62.9 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.396 0.998 . . . . 0.0 113.693 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.8 -36.39 82.99 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.199 1.0 . . . . 0.0 112.582 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 t -57.81 -27.56 63.24 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -74.89 -22.6 58.54 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.943 -1.098 . . . . 0.0 113.883 -173.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -74.32 142.65 45.16 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.302 1.041 . . . . 0.0 112.891 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -74.7 169.45 17.81 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.404 1.482 . . . . 0.0 112.179 169.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -56.66 -36.63 69.78 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.935 1.694 . . . . 0.0 113.928 -171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -83.23 -28.86 28.92 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.186 0.994 . . . . 0.0 113.105 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -74.95 -41.43 59.61 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.847 1.259 . . . . 0.0 112.128 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.61 -30.95 71.98 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.104 0.562 . . . . 0.0 111.796 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtt -65.55 -47.73 74.88 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.448 0.699 . . . . 0.0 111.651 172.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.16 99.08 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.462 0.574 . . . . 0.0 111.519 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.81 -48.57 76.33 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.903 0.881 . . . . 0.0 111.96 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.22 79.11 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.72 -43.17 94.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.843 1.257 . . . . 0.0 110.875 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -59.48 -46.36 89.03 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.506 1.122 . . . . 0.0 111.397 173.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.61 -39.32 87.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.585 0.754 . . . . 0.0 112.414 172.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.87 -48.99 64.58 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.033 0.933 . . . . 0.0 112.391 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -64.01 -33.19 75.19 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.007 0.822 . . . . 0.0 112.056 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.77 -46.44 89.57 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.042 0.937 . . . . 0.0 112.915 175.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -72.8 -21.84 60.92 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 175.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.2 mp -76.84 -36.13 57.05 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.714 0.806 . . . . 0.0 112.591 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -69.29 -28.46 66.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -78.88 152.25 31.33 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.518 1.127 . . . . 0.0 112.097 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.431 0 C-N-CA 125.363 1.459 . . . . 0.0 113.188 -176.198 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.84 -15.44 23.82 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.163 3.242 . . . . 0.0 114.954 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 71.3 -124.68 11.27 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 119.029 0.832 . . . . 0.0 112.058 -174.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 68.8 m -136.31 152.12 50.34 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.701 1.601 . . . . 0.0 111.645 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -62.09 137.94 58.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.828 0.851 . . . . 0.0 112.314 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.64 147.66 52.51 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.915 1.286 . . . . 0.0 111.934 176.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.43 134.29 95.94 Favored Pre-proline 0 N--CA 1.476 0.841 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 168.41 23.34 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 124.272 3.315 . . . . 0.0 111.775 172.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 14.6 t -153.35 154.47 34.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.681 1.192 . . . . 0.0 111.987 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 4.8 t 61.5 6.36 1.46 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.813 2.045 . . . . 0.0 116.311 174.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -156.92 152.69 27.04 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.13 1.372 . . . . 0.0 112.828 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.47 -0.47 37.91 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.308 1.443 . . . . 0.0 113.866 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.56 -13.17 58.21 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 124.545 1.069 . . . . 0.0 115.103 -174.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -59.27 -28.33 66.64 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.486 1.114 . . . . 0.0 112.595 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.64 -38.8 92.47 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.731 1.212 . . . . 0.0 112.669 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.25 -41.42 76.98 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.419 0.687 . . . . 0.0 111.785 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.67 -33.76 76.37 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.698 0.799 . . . . 0.0 111.801 173.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -67.93 -46.96 70.03 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.905 0.882 . . . . 0.0 112.074 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.9 mp -62.49 -37.27 85.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.972 -1.08 . . . . 0.0 112.163 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -63.33 -50.02 71.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.516 0.726 . . . . 0.0 112.711 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 9.1 ptm85 -68.38 -35.63 77.98 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.92 0.782 . . . . 0.0 113.084 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.9 mp -61.45 -35.43 77.58 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.0 t -59.82 -22.65 62.52 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -78.39 -21.95 48.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.812 1.245 . . . . 0.0 114.332 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -74.78 143.82 43.84 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.559 0.743 . . . . 0.0 112.78 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 19.8 t -72.15 167.66 19.81 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.609 1.164 . . . . 0.0 112.023 165.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -57.71 -37.54 73.69 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.464 1.506 . . . . 0.0 113.84 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -76.17 -35.92 58.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.26 1.024 . . . . 0.0 112.963 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.62 -41.21 72.54 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.381 1.072 . . . . 0.0 112.358 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.61 -31.79 72.7 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.389 -0.82 . . . . 0.0 111.933 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 28.8 mtm -67.23 -46.09 74.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.386 0.675 . . . . 0.0 111.321 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.04 92.51 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.407 0.549 . . . . 0.0 112.378 175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.15 -50.71 64.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.231 1.013 . . . . 0.0 111.746 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.45 -36.87 85.59 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.648 -0.657 . . . . 0.0 112.221 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.87 -43.43 88.39 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.398 -0.814 . . . . 0.0 112.046 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -55.82 -46.75 78.01 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.804 1.241 . . . . 0.0 111.552 173.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.44 -41.93 97.96 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.274 0.63 . . . . 0.0 112.35 172.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -64.22 -49.65 71.13 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.916 0.486 . . . . 0.0 112.271 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.15 -31.29 72.41 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.507 0.594 . . . . 0.0 112.373 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -63.03 -50.23 71.5 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.64 -0.663 . . . . 0.0 112.52 172.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -67.02 -28.55 68.33 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.619 1.1 . . . . 0.0 113.259 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.6 mp -69.84 -37.38 76.14 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.306 -0.871 . . . . 0.0 111.974 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.67 -29.75 64.94 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.289 -0.882 . . . . 0.0 112.661 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -72.09 -17.8 61.97 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.241 0 CA-C-O 118.365 -1.242 . . . . 0.0 113.794 -179.215 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -67.0 147.98 81.01 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.107 3.205 . . . . 0.0 112.804 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.15 -10.12 81.0 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 124.58 1.086 . . . . 0.0 115.192 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.6 t -68.6 132.23 46.57 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.439 1.096 . . . . 0.0 112.496 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 ptp -85.03 160.41 20.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.979 1.312 . . . . 0.0 113.181 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -76.22 65.91 2.25 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.306 1.442 . . . . 0.0 111.018 170.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.61 125.5 84.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.737 1.615 . . . . 0.0 112.382 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -83.81 67.69 7.03 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 124.421 3.414 . . . . 0.0 112.494 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p -134.93 151.4 50.83 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.869 1.268 . . . . 0.0 113.003 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -154.65 151.18 28.48 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.713 1.605 . . . . 0.0 112.107 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.0 p -76.81 -9.73 58.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.535 1.534 . . . . 0.0 113.768 172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -121.49 177.98 4.99 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.49 1.916 . . . . 0.0 112.552 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.85 -39.16 2.95 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 125.941 1.734 . . . . 0.0 114.32 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -64.71 -25.54 67.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.583 1.153 . . . . 0.0 113.109 175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.03 -42.6 94.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.921 1.688 . . . . 0.0 113.133 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -66.94 -38.19 85.69 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.774 0.83 . . . . 0.0 111.894 178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -68.47 -34.03 75.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.863 0.865 . . . . 0.0 111.773 172.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -68.46 -43.03 77.92 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.707 -0.621 . . . . 0.0 111.428 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.92 -45.2 90.93 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.838 -1.164 . . . . 0.0 111.529 169.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.2 t -58.91 -44.72 91.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.737 -0.602 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -74.39 -35.7 63.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.096 0.862 . . . . 0.0 113.272 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.23 -37.6 87.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.068 0.947 . . . . 0.0 112.627 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -58.28 -20.11 39.92 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -81.39 -23.0 37.91 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.88 144.52 49.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.203 1.001 . . . . 0.0 113.569 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -72.39 166.23 22.96 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.684 1.593 . . . . 0.0 111.992 166.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -55.16 -39.85 69.97 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.534 1.534 . . . . 0.0 113.848 -174.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -79.62 -28.05 40.95 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.369 1.068 . . . . 0.0 113.032 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -76.53 -41.94 44.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.852 1.261 . . . . 0.0 112.212 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.06 -27.06 67.07 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.747 -0.596 . . . . 0.0 112.461 175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.6 mtt -64.61 -48.31 75.38 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.392 0.677 . . . . 0.0 111.753 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.83 96.35 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.006 0.522 . . . . 0.0 111.804 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.26 -55.2 36.64 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.572 1.149 . . . . 0.0 111.862 174.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.48 84.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.7 -42.96 90.58 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.362 1.065 . . . . 0.0 111.357 174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -60.93 -35.95 78.05 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.517 1.127 . . . . 0.0 112.233 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -70.52 -41.65 72.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.087 0.955 . . . . 0.0 112.406 170.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -63.5 -45.26 91.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.633 1.173 . . . . 0.0 112.799 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.37 -35.96 82.58 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -64.6 -48.02 76.48 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.561 -0.712 . . . . 0.0 112.205 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -66.42 -27.72 68.06 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.0 -38.61 66.56 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.159 0.983 . . . . 0.0 112.839 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -71.23 -30.03 65.84 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.838 0.745 . . . . 0.0 112.42 174.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -70.9 -37.0 72.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.926 0.89 . . . . 0.0 113.381 171.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.354 0 C-N-CA 125.991 1.758 . . . . 0.0 114.166 -177.006 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.47 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.477 1.425 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.22 130.72 27.9 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.477 2.784 . . . . 0.0 111.88 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 74.68 0.19 58.29 Favored Glycine 0 CA--C 1.542 1.736 0 C-N-CA 124.678 1.132 . . . . 0.0 115.896 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.47 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 16.4 m -73.97 -32.92 63.66 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.078 1.439 . . . . 0.0 113.486 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 17.0 tpt -82.53 146.01 29.45 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.653 1.181 . . . . 0.0 112.216 -178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.63 150.03 49.63 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.962 1.305 . . . . 0.0 112.902 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 55.2 tttm 52.42 68.51 3.05 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 126.974 2.11 . . . . 0.0 113.866 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -64.06 -15.8 51.31 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.558 2.172 . . . . 0.0 114.297 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 63.3 p -65.4 -14.53 61.09 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.768 1.227 . . . . 0.0 113.554 174.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 93.9 p -75.02 -3.88 35.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.333 1.453 . . . . 0.0 114.693 174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 66.1 m -59.43 150.61 26.07 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.985 1.314 . . . . 0.0 114.269 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -80.44 -166.39 1.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 125.833 1.653 . . . . 0.0 112.67 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.54 -41.47 2.15 Favored Glycine 0 N--CA 1.472 1.055 0 C-N-CA 126.4 1.952 . . . . 0.0 113.303 174.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -65.07 -28.42 69.45 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.983 0.913 . . . . 0.0 112.504 172.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -63.36 -39.88 95.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.135 1.774 . . . . 0.0 112.52 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.05 -39.82 93.86 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.529 0.732 . . . . 0.0 111.868 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.87 -19.28 61.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.045 0.938 . . . . 0.0 113.065 175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -79.1 -49.12 13.13 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.053 -1.03 . . . . 0.0 111.175 170.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.88 -37.91 83.83 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.051 -1.03 . . . . 0.0 113.358 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 92.7 p -64.24 -32.98 74.77 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.04 -28.29 24.24 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.935 1.294 . . . . 0.0 112.967 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.38 -32.06 73.22 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.837 1.255 . . . . 0.0 113.155 175.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 7.9 t -63.89 -19.55 65.17 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.077 1.139 . . . . 0.0 114.077 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.83 -22.65 42.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.726 1.211 . . . . 0.0 113.997 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.95 145.89 46.44 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.518 1.127 . . . . 0.0 113.123 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 38.6 t -69.43 160.63 31.02 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.685 1.194 . . . . 0.0 111.113 160.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.95 -37.17 81.42 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.235 -0.916 . . . . 0.0 113.377 -174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -64.7 -36.75 85.3 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.849 0.86 . . . . 0.0 112.653 173.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -74.96 -44.55 47.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.315 1.046 . . . . 0.0 112.23 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.97 -32.62 74.21 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.003 0.819 . . . . 0.0 111.913 174.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.4 mtm -65.19 -45.67 83.88 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.802 0.728 . . . . 0.0 111.951 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.1 98.78 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.166 0.586 . . . . 0.0 111.898 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.49 -49.52 75.05 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.075 0.95 . . . . 0.0 112.219 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -38.35 90.17 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.451 -0.78 . . . . 0.0 112.099 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.46 -45.12 94.49 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.305 -0.872 . . . . 0.0 110.886 172.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -61.76 -38.97 89.99 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.232 1.013 . . . . 0.0 112.442 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.0 -41.82 90.53 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.134 0.973 . . . . 0.0 111.843 171.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -65.47 -49.78 67.8 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.368 1.067 . . . . 0.0 112.578 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.76 -35.44 79.81 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.634 0.652 . . . . 0.0 111.94 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -63.61 -50.07 70.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.54 0.609 . . . . 0.0 112.17 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -75.42 -16.6 60.33 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.98 -35.75 42.45 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.483 1.113 . . . . 0.0 112.434 167.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.49 -36.82 60.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.298 -0.877 . . . . 0.0 112.937 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -69.31 144.44 53.54 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.239 1.016 . . . . 0.0 112.441 173.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 C-N-CA 125.736 1.636 . . . . 0.0 113.463 179.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.401 0 CA-C-O 119.787 -0.452 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -66.41 157.54 59.85 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.679 2.919 . . . . 0.0 113.12 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.63 -153.67 12.53 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.451 1.5 . . . . 0.0 112.561 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -63.0 145.18 55.99 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.657 0.783 . . . . 0.0 112.347 174.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 90.2 mtp -74.22 -9.01 58.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.026 0.93 . . . . 0.0 113.324 170.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 59.69 -174.3 0.11 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.325 2.25 . . . . 0.0 114.037 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -65.29 156.67 80.75 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 125.263 1.425 . . . . 0.0 112.321 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -60.76 -20.05 64.09 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 123.593 2.862 . . . . 0.0 115.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 91.3 m -78.81 84.46 4.87 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.238 1.015 . . . . 0.0 110.01 173.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -129.64 0.82 4.95 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.548 1.539 . . . . 0.0 114.253 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t 55.92 -152.76 0.36 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.986 1.714 . . . . 0.0 113.188 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -67.01 -6.31 16.48 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.76 1.624 . . . . 0.0 114.672 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.0 -5.24 52.11 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.837 1.684 . . . . 0.0 115.464 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -54.88 -28.51 50.85 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.83 1.315 . . . . 0.0 113.435 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -62.18 -37.46 85.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.632 1.573 . . . . 0.0 113.027 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -69.13 -38.56 78.92 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.428 0.691 . . . . 0.0 112.024 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -69.45 -34.48 74.45 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.342 0.657 . . . . 0.0 111.752 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.17 -47.65 73.3 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.483 0.713 . . . . 0.0 110.873 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -62.54 -37.53 86.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.115 -0.991 . . . . 0.0 111.976 172.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.0 t -62.0 -46.23 90.15 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.096 -1.002 . . . . 0.0 112.186 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.71 -37.51 55.95 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.69 -37.24 73.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.156 0.982 . . . . 0.0 112.134 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 t -62.91 -21.73 66.24 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -82.14 -22.82 35.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.189 0.995 . . . . 0.0 113.51 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.12 144.11 50.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.2 1.4 . . . . 0.0 112.258 178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 t -72.13 165.8 23.6 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.773 1.229 . . . . 0.0 112.071 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -57.01 -34.44 68.17 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.296 1.438 . . . . 0.0 113.447 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.1 -20.52 34.71 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -85.76 -42.72 13.96 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.571 1.149 . . . . 0.0 112.032 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.57 -28.53 68.54 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 48.7 mtt -62.65 -50.66 70.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.809 0.844 . . . . 0.0 112.591 170.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -38.67 89.72 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.46 -55.04 38.3 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.909 1.284 . . . . 0.0 111.356 175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.42 -38.62 87.86 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.24 -43.3 91.82 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.93 0.892 . . . . 0.0 111.64 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.74 -45.76 88.94 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.594 1.158 . . . . 0.0 111.542 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.8 -41.57 95.89 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.576 0.75 . . . . 0.0 111.905 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -68.15 -46.46 70.74 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.678 0.672 . . . . 0.0 112.293 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -63.87 -33.43 75.68 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.244 0.929 . . . . 0.0 112.421 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -62.31 -46.36 89.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -72.17 -30.57 65.11 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 176.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.91 -33.34 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.928 -1.107 . . . . 0.0 112.953 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -73.77 -12.42 60.7 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -66.96 147.31 53.4 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.232 0.924 . . . . 0.0 113.349 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.399 0 C-N-CA 125.505 1.526 . . . . 0.0 113.979 179.606 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.385 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.93 167.94 24.52 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.853 3.036 . . . . 0.0 113.377 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 119.49 88.09 1.11 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.684 1.611 . . . . 0.0 113.194 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.5 m -148.9 140.42 23.41 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.672 1.589 . . . . 0.0 111.148 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -154.23 121.83 5.84 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.809 1.243 . . . . 0.0 110.651 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -101.79 120.98 41.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.785 1.234 . . . . 0.0 111.727 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -76.67 154.89 83.51 Favored Pre-proline 0 N--CA 1.481 1.105 0 C-N-CA 124.174 0.99 . . . . 0.0 110.613 159.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.5 148.43 92.53 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.769 2.313 . . . . 0.0 112.094 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 82.5 p -123.08 23.06 9.37 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.022 1.329 . . . . 0.0 113.561 -171.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 58.6 p -55.49 135.29 50.74 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.175 1.39 . . . . 0.0 113.799 -172.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 19.3 m 54.77 19.34 2.5 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.594 1.957 . . . . 0.0 115.5 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 58.12 8.5 0.79 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.025 2.13 . . . . 0.0 115.232 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -12.01 81.6 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.133 -0.979 . . . . 0.0 114.436 -174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -57.0 -30.95 64.59 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.839 1.656 . . . . 0.0 114.095 -176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -64.6 -31.27 72.41 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.401 1.081 . . . . 0.0 113.701 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.25 -36.35 81.43 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.264 0.626 . . . . 0.0 110.85 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.66 -34.55 64.97 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.73 0.812 . . . . 0.0 111.382 174.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -66.86 -45.53 77.83 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.47 -0.769 . . . . 0.0 111.252 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.37 -35.8 80.3 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.671 -1.268 . . . . 0.0 112.168 172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -65.73 -28.98 69.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.112 0.965 . . . . 0.0 113.464 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 ptt85 -82.05 -40.55 21.85 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.161 0.891 . . . . 0.0 112.146 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.7 mp -63.49 -30.33 71.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.43 1.092 . . . . 0.0 113.394 -174.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 92.4 p -59.99 -29.06 68.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.222 1.009 . . . . 0.0 113.511 172.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -77.92 -22.42 49.66 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.726 1.211 . . . . 0.0 114.12 -171.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.11 144.39 50.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.705 0.802 . . . . 0.0 112.469 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.6 t -68.25 165.89 17.51 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 166.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.36 -39.36 79.34 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.066 1.346 . . . . 0.0 113.335 -174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -71.66 -40.39 69.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.358 0.663 . . . . 0.0 112.619 173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -67.95 -42.23 81.26 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.821 1.248 . . . . 0.0 112.536 -176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.32 -29.35 70.09 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.768 0.713 . . . . 0.0 112.586 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 70.0 mtm -78.17 -38.32 43.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 118.972 -0.537 . . . . 0.0 112.149 174.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.01 94.98 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 118.977 0.808 . . . . 0.0 111.442 171.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tt -58.27 -58.36 8.83 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.333 1.453 . . . . 0.0 111.302 172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -39.36 93.98 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.42 -44.58 90.78 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.624 1.17 . . . . 0.0 111.226 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.13 -47.77 80.3 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 111.712 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.84 -39.04 80.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.971 0.909 . . . . 0.0 112.126 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -67.9 -50.69 54.82 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.561 0.619 . . . . 0.0 112.636 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -64.54 -30.77 71.8 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.829 0.74 . . . . 0.0 112.223 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.88 -52.4 64.28 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.471 -0.768 . . . . 0.0 112.178 172.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.14 -26.01 67.24 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 120.041 1.291 . . . . 0.0 113.407 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.53 -35.42 70.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.396 1.079 . . . . 0.0 112.843 171.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.71 -25.49 24.72 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.35 145.18 54.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.123 0.969 . . . . 0.0 113.201 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.294 0 C-N-CA 125.927 1.727 . . . . 0.0 113.462 -179.624 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 CA-C-O 118.899 -0.945 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.55 162.45 40.85 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 124.084 3.189 . . . . 0.0 113.18 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.25 -0.71 62.21 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.898 1.237 . . . . 0.0 115.545 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 t -147.5 148.18 30.94 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.087 1.755 . . . . 0.0 110.909 177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 96.1 mmm -73.8 -16.03 61.17 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.7 m120 56.99 -167.66 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.05 1.74 . . . . 0.0 113.026 -173.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -67.02 145.48 98.89 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.129 0.972 . . . . 0.0 111.776 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.47 145.68 71.81 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.585 2.857 . . . . 0.0 112.646 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -157.46 157.34 33.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.016 1.327 . . . . 0.0 111.634 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 m 58.72 -174.03 0.09 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.157 1.783 . . . . 0.0 114.572 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.9 m 59.1 25.93 14.51 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.681 1.593 . . . . 0.0 114.915 -177.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -82.35 30.44 0.41 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.134 2.173 . . . . 0.0 113.465 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.23 7.54 10.86 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.342 1.925 . . . . 0.0 117.082 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -57.09 -24.79 56.53 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.614 1.207 . . . . 0.0 112.908 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -62.43 -36.65 83.06 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.616 1.966 . . . . 0.0 113.396 -175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -65.96 -42.92 89.3 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.059 0.944 . . . . 0.0 111.798 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -68.33 -32.82 73.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.597 0.759 . . . . 0.0 112.144 173.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -68.43 -43.87 76.19 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.911 -0.493 . . . . 0.0 111.586 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.78 -41.82 91.97 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.9 -1.125 . . . . 0.0 111.516 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.8 t -58.69 -45.51 89.33 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 119.007 -0.521 . . . . 0.0 111.865 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -74.85 -35.17 62.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.65 1.114 . . . . 0.0 113.879 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.43 -36.33 83.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 112.144 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 p -61.26 -19.04 61.24 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -78.52 -22.89 46.68 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -76.46 147.88 37.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.669 1.187 . . . . 0.0 113.64 -171.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.5 t -73.9 162.75 28.75 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.836 1.254 . . . . 0.0 111.438 160.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -61.63 -32.4 72.54 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -174.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.73 -31.65 70.87 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 119.481 1.037 . . . . 0.0 113.14 173.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -81.16 -43.61 19.1 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.361 1.065 . . . . 0.0 112.166 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.8 -27.82 67.88 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 31.8 mtt -61.28 -50.52 72.66 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.277 0.49 . . . . 0.0 111.447 170.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.11 90.69 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 122.728 0.411 . . . . 0.0 111.837 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.97 -54.87 31.62 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.776 1.23 . . . . 0.0 112.37 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.431 -0.793 . . . . 0.0 112.678 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.63 -41.74 87.86 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.493 1.117 . . . . 0.0 111.537 175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -59.02 -48.53 81.27 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.121 0.968 . . . . 0.0 111.289 173.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.9 mp -59.6 -42.38 92.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.68 0.792 . . . . 0.0 112.264 174.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -62.61 -49.25 75.98 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.399 1.08 . . . . 0.0 111.743 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -70.86 -30.65 67.1 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 118.941 0.791 . . . . 0.0 112.804 178.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.5 -46.8 88.81 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.569 1.077 . . . . 0.0 112.636 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -72.51 -17.78 61.71 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.0 mp -79.9 -39.82 29.59 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.598 1.159 . . . . 0.0 112.67 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -74.44 -39.02 62.83 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.804 0.842 . . . . 0.0 113.211 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -76.64 150.7 36.38 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.596 1.158 . . . . 0.0 112.775 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.43 0 C-N-CA 125.035 1.302 . . . . 0.0 112.833 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.409 -0.276 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -68.2 160.07 50.45 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.241 3.294 . . . . 0.0 112.926 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.43 -156.78 13.79 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.105 1.336 . . . . 0.0 114.209 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 25.0 t -62.68 149.04 44.68 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.429 1.092 . . . . 0.0 112.401 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 44.0 tpp -64.12 129.5 40.25 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.518 1.127 . . . . 0.0 112.538 -173.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.78 -25.54 53.48 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.308 1.043 . . . . 0.0 113.52 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -62.59 144.95 95.64 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 124.788 1.235 . . . . 0.0 111.984 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -68.09 148.35 75.19 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.302 2.668 . . . . 0.0 113.256 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 38.7 p -137.42 117.8 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.819 1.648 . . . . 0.0 109.484 171.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 14.5 m 58.25 10.37 1.26 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.028 1.862 . . . . 0.0 116.028 -173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 15.8 t -73.4 154.07 40.18 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.144 1.377 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 60.41 -0.69 0.25 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.935 2.094 . . . . 0.0 115.736 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 72.5 -51.75 1.47 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 126.791 2.138 . . . . 0.0 114.644 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -67.73 -27.59 66.93 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.688 1.195 . . . . 0.0 113.61 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -64.57 -37.12 86.47 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.441 1.096 . . . . 0.0 112.891 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -66.6 -41.73 87.99 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.539 0.735 . . . . 0.0 111.931 176.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -66.62 -34.12 77.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.74 0.816 . . . . 0.0 112.241 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -68.34 -44.15 75.95 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.412 -0.805 . . . . 0.0 111.39 176.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.69 -39.54 88.88 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 120.937 -1.102 . . . . 0.0 111.973 171.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 32.3 t -62.82 -47.05 85.09 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.388 0.675 . . . . 0.0 112.701 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 22.8 ptt85 -69.26 -36.2 76.87 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.015 0.825 . . . . 0.0 112.936 179.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.0 -27.58 69.51 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.027 0.931 . . . . 0.0 112.679 -179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -63.59 -23.4 67.37 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.669 1.188 . . . . 0.0 114.061 171.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -79.85 -21.66 43.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.19 150.68 45.09 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 16.6 t -77.14 162.95 27.04 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.417 0.687 . . . . 0.0 110.851 158.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -65.33 -30.58 71.44 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.654 -1.279 . . . . 0.0 114.294 -167.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -71.98 -34.04 68.61 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.514 0.726 . . . . 0.0 112.458 172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -74.76 -41.37 60.19 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.972 0.909 . . . . 0.0 111.847 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.15 -32.61 74.38 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.436 172.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 36.6 mtm -67.27 -44.82 78.39 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.818 -0.551 . . . . 0.0 111.621 173.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.61 97.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.275 0.63 . . . . 0.0 112.266 174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.98 -51.56 61.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.34 1.056 . . . . 0.0 111.812 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.52 91.35 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.596 -0.69 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.49 -43.73 93.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.668 0.787 . . . . 0.0 111.291 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -57.49 -48.56 78.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.21 1.004 . . . . 0.0 111.779 174.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.72 -38.61 85.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.686 0.794 . . . . 0.0 112.375 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -64.4 -55.63 19.7 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.12 0.968 . . . . 0.0 111.55 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -66.07 -30.18 70.66 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.92 0.782 . . . . 0.0 112.937 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -57.58 -41.55 81.36 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.093 0.957 . . . . 0.0 112.55 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -86.25 -43.31 13.06 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.65 -39.51 70.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -84.4 -21.2 30.89 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.075 0.852 . . . . 0.0 113.032 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -76.41 -27.22 56.2 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.406 1.083 . . . . 0.0 113.535 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.357 1.456 . . . . 0.0 113.902 179.509 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 CA-C-O 119.59 -0.561 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -59.17 160.19 19.89 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.42 3.413 . . . . 0.0 114.584 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.91 16.59 78.72 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 124.043 0.83 . . . . 0.0 115.173 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -149.52 136.52 19.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.543 1.537 . . . . 0.0 110.922 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 39.7 tpp -158.63 146.06 17.8 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.613 1.565 . . . . 0.0 110.527 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -71.62 -25.79 62.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -64.24 148.23 96.03 Favored Pre-proline 0 CA--C 1.544 0.723 0 C-N-CA 125.422 1.489 . . . . 0.0 111.93 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -67.89 158.34 57.77 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.653 2.902 . . . . 0.0 112.976 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -75.1 -21.57 58.83 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.662 1.185 . . . . 0.0 113.151 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -143.49 160.48 40.53 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.665 1.586 . . . . 0.0 111.88 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -131.25 150.66 52.05 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 128.969 2.908 . . . . 0.0 112.22 5.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -84.41 23.03 1.16 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.998 1.719 . . . . 0.0 113.792 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.71 -2.57 17.0 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.679 1.609 . . . . 0.0 115.791 -176.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -56.32 -29.3 61.1 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.136 1.468 . . . . 0.0 113.053 175.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.69 -36.75 81.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.395 1.478 . . . . 0.0 113.36 -176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.03 -40.26 78.73 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.61 0.764 . . . . 0.0 111.907 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -68.4 -33.73 74.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.353 0.661 . . . . 0.0 111.626 172.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.6 -45.26 75.99 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.393 -0.817 . . . . 0.0 111.556 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.69 -43.36 85.06 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 120.987 -1.071 . . . . 0.0 111.635 170.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.8 t -59.05 -45.22 91.31 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -73.21 -36.09 66.43 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.41 1.005 . . . . 0.0 113.546 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.31 -32.44 73.85 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 112.259 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 t -65.03 -22.3 66.97 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -78.41 -22.71 47.35 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 144.13 48.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.106 1.362 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 t -71.35 166.83 20.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.52 1.128 . . . . 0.0 112.009 170.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -58.44 -36.96 74.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.729 1.212 . . . . 0.0 113.809 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -70.67 -40.59 72.9 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 118.796 0.725 . . . . 0.0 112.572 173.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -75.03 -37.61 61.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.794 1.238 . . . . 0.0 112.807 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.91 -30.65 71.72 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.586 -0.696 . . . . 0.0 112.557 173.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.1 mtt -70.31 -43.61 70.0 Favored 'General case' 0 N--CA 1.466 0.341 0 O-C-N 121.608 -0.683 . . . . 0.0 111.237 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.53 86.96 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 112.376 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.52 -52.23 65.34 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.826 1.25 . . . . 0.0 111.074 173.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.32 -36.27 83.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.86 -43.62 92.4 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.58 1.152 . . . . 0.0 111.467 175.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.73 -44.65 93.67 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.5 1.12 . . . . 0.0 111.902 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.04 -35.47 80.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.953 0.901 . . . . 0.0 112.313 171.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -70.08 -50.96 35.71 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.224 0.92 . . . . 0.0 112.329 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.35 -29.99 70.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.288 0.949 . . . . 0.0 112.311 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.21 -45.86 91.47 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.901 1.28 . . . . 0.0 112.866 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.02 -39.29 56.02 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 118.548 0.613 . . . . 0.0 112.598 173.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 tp -66.32 -39.5 89.32 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -170.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -70.55 -21.62 62.69 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.16 -15.43 36.1 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.229 1.412 . . . . 0.0 113.826 175.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.3 0 C-N-CA 126.17 1.843 . . . . 0.0 113.79 176.582 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.447 0 CA-C-O 119.842 -0.421 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -65.85 141.35 64.82 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 124.071 3.181 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.96 -1.08 87.07 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.102 1.334 . . . . 0.0 116.265 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 138.95 58.7 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.872 1.336 . . . . 0.0 112.676 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.6 -9.26 58.37 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.176 1.39 . . . . 0.0 114.56 -177.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -130.25 137.62 50.1 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 126.135 1.774 . . . . 0.0 109.961 172.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -132.74 146.19 60.35 Favored Pre-proline 0 N--CA 1.481 1.124 0 C-N-CA 124.79 1.236 . . . . 0.0 111.606 -172.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -66.01 -19.1 57.9 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.645 2.897 . . . . 0.0 114.135 -175.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 54.3 p -63.77 -20.96 66.17 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.674 1.19 . . . . 0.0 113.691 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 50.4 m -88.64 -11.88 44.11 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.68 1.192 . . . . 0.0 113.768 174.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 23.6 t -84.21 160.33 20.83 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.5 1.52 . . . . 0.0 112.686 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -81.66 16.18 1.86 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.729 1.212 . . . . 0.0 113.935 174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.01 -10.43 26.55 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.369 1.461 . . . . 0.0 115.189 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 41.7 p-90 -56.61 -28.55 60.65 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.702 1.201 . . . . 0.0 112.883 171.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -60.53 -37.58 81.67 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.975 1.31 . . . . 0.0 113.213 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -69.45 -39.25 77.91 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.775 0.83 . . . . 0.0 111.861 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -68.41 -32.39 72.41 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.456 0.702 . . . . 0.0 111.885 172.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -69.2 -45.87 68.85 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.453 -0.779 . . . . 0.0 111.438 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.2 mp -56.98 -41.47 78.45 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.102 -0.999 . . . . 0.0 111.691 169.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 37.1 t -59.43 -44.79 92.84 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.689 -0.632 . . . . 0.0 112.483 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.15 -36.55 66.67 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 119.217 0.917 . . . . 0.0 113.122 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.3 -32.88 74.41 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.439 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 12.3 t -63.47 -24.36 67.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -76.13 -22.79 55.07 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.81 144.82 45.39 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.793 1.237 . . . . 0.0 112.964 -176.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 52.0 m -73.48 167.33 21.5 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.695 1.598 . . . . 0.0 112.185 166.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -53.34 -45.39 69.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.015 1.326 . . . . 0.0 114.422 -171.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.04 -32.84 65.34 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.988 0.915 . . . . 0.0 112.691 178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -73.91 -40.74 62.92 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.628 1.171 . . . . 0.0 112.381 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.6 -28.99 68.21 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.131 -0.981 . . . . 0.0 112.686 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 19.3 mtt -67.21 -47.38 71.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.734 0.697 . . . . 0.0 111.097 169.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.57 80.68 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.426 0.69 . . . . 0.0 112.723 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.98 -52.43 63.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.476 1.11 . . . . 0.0 111.434 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.47 86.61 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.659 -0.65 . . . . 0.0 112.117 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.73 -45.16 87.66 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.562 1.145 . . . . 0.0 111.317 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.08 -39.88 83.53 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.135 1.374 . . . . 0.0 112.31 174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -42.37 94.74 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.602 0.761 . . . . 0.0 111.925 171.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -68.51 -45.77 71.38 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.33 -32.38 73.97 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.789 0.722 . . . . 0.0 111.929 178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -63.83 -44.96 91.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.143 0.883 . . . . 0.0 113.317 175.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.19 -24.71 61.46 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.36 -41.08 41.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.704 0.802 . . . . 0.0 112.877 174.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -80.64 -28.53 36.91 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -70.65 156.49 39.4 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.192 -0.942 . . . . 0.0 113.46 179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.044 1.307 . . . . 0.0 112.405 179.481 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.422 0 CA-C-O 119.196 -0.78 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.28 -33.14 72.13 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.652 2.901 . . . . 0.0 114.421 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 146.82 23.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.625 1.107 . . . . 0.0 113.464 176.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 97.8 p -155.34 163.4 40.16 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.748 1.619 . . . . 0.0 112.349 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 41.0 ttp -128.61 2.91 5.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.385 1.474 . . . . 0.0 113.693 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -68.91 144.1 54.28 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.385 1.474 . . . . 0.0 112.419 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 150.98 80.37 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 124.626 1.17 . . . . 0.0 110.876 170.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.41 120.04 7.24 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.324 2.683 . . . . 0.0 111.787 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -161.64 166.86 26.2 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.753 1.621 . . . . 0.0 111.862 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -73.26 16.36 0.18 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.871 2.068 . . . . 0.0 115.373 -174.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 t -77.86 -8.41 58.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.485 1.514 . . . . 0.0 114.152 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.19 -175.56 2.8 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.069 1.748 . . . . 0.0 113.221 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.91 -48.83 2.76 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 125.858 1.694 . . . . 0.0 113.548 174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -64.34 -23.64 67.36 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.505 1.122 . . . . 0.0 113.02 174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.02 -36.61 84.13 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.62 1.568 . . . . 0.0 113.146 -174.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -67.48 -39.23 85.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.276 0.63 . . . . 0.0 111.91 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -69.14 -32.98 72.71 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.535 0.734 . . . . 0.0 111.811 173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -66.52 -45.29 79.98 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.782 -0.574 . . . . 0.0 111.719 176.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.05 -40.85 86.36 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.045 -1.034 . . . . 0.0 112.04 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.1 t -62.56 -45.66 91.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -72.44 -37.78 68.48 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.275 0.943 . . . . 0.0 113.234 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -58.97 -30.1 67.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.132 0.973 . . . . 0.0 112.453 176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.7 t -64.68 -25.25 67.86 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -83.67 -23.06 31.91 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -169.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 148.24 46.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.888 1.675 . . . . 0.0 112.422 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.3 t -67.85 166.1 16.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.553 1.141 . . . . 0.0 111.897 168.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -57.16 -41.97 80.2 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.605 1.162 . . . . 0.0 113.045 -175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -70.12 -37.27 75.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.679 0.792 . . . . 0.0 112.579 175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -73.34 -41.48 63.42 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.285 1.434 . . . . 0.0 112.959 -177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.72 -32.19 73.61 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.559 -0.713 . . . . 0.0 111.788 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.0 mtm -76.91 -35.3 57.45 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.46 92.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.118 0.872 . . . . 0.0 112.034 170.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.3 -49.84 72.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.299 1.04 . . . . 0.0 111.126 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.38 79.89 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.164 -0.96 . . . . 0.0 113.121 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -64.98 -46.78 80.03 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.257 1.423 . . . . 0.0 111.051 174.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -54.89 -46.05 74.75 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.985 1.314 . . . . 0.0 112.143 172.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.96 -41.75 98.35 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.012 0.925 . . . . 0.0 112.365 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -67.3 -47.14 71.48 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.354 0.979 . . . . 0.0 112.188 -178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -64.04 -32.31 73.81 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.794 0.725 . . . . 0.0 112.213 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -65.92 -46.54 77.89 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.734 0.813 . . . . 0.0 112.508 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.21 -30.71 69.85 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.25 0.932 . . . . 0.0 113.126 174.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.01 -32.05 71.31 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.39 -0.819 . . . . 0.0 112.812 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.21 -30.96 68.19 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.384 -0.823 . . . . 0.0 112.7 170.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -76.09 -32.23 59.11 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.205 0 CA-C-O 118.422 -1.21 . . . . 0.0 113.893 179.494 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.63 164.69 32.11 Favored 'Trans proline' 0 CA--C 1.544 1.02 0 C-N-CA 124.083 3.189 . . . . 0.0 112.571 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -57.77 129.7 49.91 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 123.685 0.659 . . . . 0.0 112.662 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m 53.38 24.57 3.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.863 1.665 . . . . 0.0 114.338 -174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . 0.257 27.8 ptm 46.42 33.42 1.91 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.168 2.187 . . . . 0.0 114.105 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.41 125.75 25.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.416 1.086 . . . . 0.0 112.995 -169.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -147.57 159.85 40.28 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 127.237 2.215 . . . . 0.0 110.621 176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.74 151.98 52.28 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.972 3.115 . . . . 0.0 113.796 175.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.6 p -76.92 -21.69 54.48 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.7 1.2 . . . . 0.0 113.731 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.5 m -69.53 132.53 46.41 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.523 1.129 . . . . 0.0 111.731 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 46.8 t -160.32 144.57 14.26 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.847 1.259 . . . . 0.0 111.941 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -81.0 -6.68 59.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.132 0.973 . . . . 0.0 113.002 170.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.01 -8.15 60.81 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -174.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -59.38 -29.13 67.48 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.176 1.488 . . . . 0.0 112.483 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.11 -35.95 81.99 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.056 1.342 . . . . 0.0 112.477 178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.38 -37.01 74.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.86 0.864 . . . . 0.0 111.792 177.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.3 -37.52 83.5 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.614 -0.679 . . . . 0.0 111.571 171.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -65.2 -48.12 74.5 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.65 -0.656 . . . . 0.0 111.28 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 9.3 mp -69.52 -18.64 63.69 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.867 -1.146 . . . . 0.0 113.737 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.4 t -74.11 -51.39 15.81 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.769 -1.207 . . . . 0.0 111.947 168.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.67 -35.43 62.81 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.31 -37.4 80.43 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.843 0.857 . . . . 0.0 112.854 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 10.3 t -61.32 -22.13 64.62 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.018 0.927 . . . . 0.0 113.268 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -75.51 -20.91 58.42 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.043 1.337 . . . . 0.0 114.007 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.42 144.84 41.98 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.714 1.206 . . . . 0.0 111.744 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.2 t -66.02 164.86 14.42 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.163 1.385 . . . . 0.0 112.635 174.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -57.54 -35.94 70.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.217 1.407 . . . . 0.0 113.13 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -78.32 -36.42 46.39 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.348 -0.845 . . . . 0.0 112.774 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -69.05 -42.68 75.95 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.076 0.95 . . . . 0.0 112.886 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -60.48 -31.07 70.12 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.603 -0.686 . . . . 0.0 112.695 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 62.7 mtt -72.59 -45.47 58.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.911 0.778 . . . . 0.0 111.684 173.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.43 87.86 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.218 0.607 . . . . 0.0 112.156 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.5 -50.85 71.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.928 174.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.21 -41.74 94.18 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.57 -41.33 98.39 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.269 1.028 . . . . 0.0 111.95 177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -59.18 -49.6 77.24 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.194 0.998 . . . . 0.0 112.064 172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.22 -40.11 84.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.848 0.859 . . . . 0.0 112.133 174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -67.78 -52.14 40.69 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.724 1.21 . . . . 0.0 111.654 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.78 -31.35 72.28 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.736 0.698 . . . . 0.0 112.066 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -60.97 -49.55 77.0 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.311 -0.868 . . . . 0.0 112.407 172.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -79.44 -16.98 55.22 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.7 mp -78.69 -37.23 42.23 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.48 1.112 . . . . 0.0 112.136 168.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -77.07 -41.73 41.12 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.17 161.66 28.03 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.385 0 C-N-CA 125.759 1.647 . . . . 0.0 113.71 -178.591 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.424 0 CA-C-O 118.561 -1.133 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.27 144.3 95.21 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.639 2.893 . . . . 0.0 114.077 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.07 -143.29 45.91 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.337 0.97 . . . . 0.0 113.345 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.8 m -70.51 -20.08 62.87 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 17.1 tmm? 60.56 -60.37 0.07 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 129.266 3.027 . . . . 0.0 115.636 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -80.87 10.38 5.11 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.779 1.632 . . . . 0.0 114.288 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.1 138.45 94.3 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.05 1.34 . . . . 0.0 111.767 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.03 150.9 61.68 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.45 2.767 . . . . 0.0 114.248 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.7 m 54.78 51.52 13.62 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.672 1.589 . . . . 0.0 112.007 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.8 p -68.67 166.56 17.04 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.35 1.46 . . . . 0.0 113.538 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.1 p -64.57 -13.23 52.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -125.99 -7.9 6.6 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.322 1.449 . . . . 0.0 114.178 172.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.37 -27.98 64.71 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 121.079 -1.013 . . . . 0.0 113.758 175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.2 p-90 -63.94 -25.14 68.01 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.085 0.954 . . . . 0.0 113.146 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -60.17 -47.76 84.56 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.804 1.641 . . . . 0.0 111.469 -176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -72.75 -35.02 67.41 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.066 0.946 . . . . 0.0 112.278 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.03 -39.56 87.04 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.412 0.685 . . . . 0.0 112.056 176.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.6 -45.7 85.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.658 0.783 . . . . 0.0 111.364 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mp -58.75 -43.97 90.42 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.869 -1.144 . . . . 0.0 112.029 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.9 t -58.62 -45.13 89.88 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.058 -1.026 . . . . 0.0 112.327 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -74.63 -34.5 62.78 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.39 -37.91 89.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.206 1.003 . . . . 0.0 112.402 177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 t -59.27 -23.82 62.71 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -76.65 -22.4 54.12 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.795 1.238 . . . . 0.0 113.781 -174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.28 143.58 53.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.923 1.289 . . . . 0.0 112.548 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t -70.83 167.35 19.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.738 1.215 . . . . 0.0 111.804 168.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -59.06 -37.51 77.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.138 1.375 . . . . 0.0 113.718 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -71.58 -40.87 69.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.965 0.906 . . . . 0.0 112.6 173.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -68.82 -42.34 77.34 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.487 1.115 . . . . 0.0 112.812 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -64.56 -33.26 75.5 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.519 0.599 . . . . 0.0 112.319 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 42.6 mtm -69.02 -45.49 70.35 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 119.161 -0.447 . . . . 0.0 112.025 173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.3 -40.04 89.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.399 0.679 . . . . 0.0 112.351 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.32 -50.58 67.26 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.467 1.107 . . . . 0.0 112.34 175.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.58 -36.36 83.54 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.94 -44.11 90.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.348 1.059 . . . . 0.0 111.498 173.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -61.41 -37.57 83.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.246 1.018 . . . . 0.0 112.983 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -67.24 -41.59 85.4 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.219 1.008 . . . . 0.0 112.339 170.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -67.68 -45.37 75.39 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -63.07 -32.28 73.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.974 0.806 . . . . 0.0 112.293 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -63.35 -42.63 98.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.741 0.817 . . . . 0.0 112.85 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.28 -39.3 54.64 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 tp -66.87 -38.49 86.43 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.348 1.059 . . . . 0.0 113.776 -174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -67.05 -12.56 60.27 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 173.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -113.59 8.07 17.55 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.157 1.783 . . . . 0.0 113.451 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.213 0 C-N-CA 125.672 1.606 . . . . 0.0 114.118 178.867 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.369 -0.292 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.2 -12.4 21.13 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 124.135 3.223 . . . . 0.0 114.798 -176.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.71 -111.92 3.64 Favored Glycine 0 CA--C 1.535 1.3 0 O-C-N 121.363 -0.836 . . . . 0.0 111.175 -173.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.3 t -148.44 144.79 27.66 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.438 1.095 . . . . 0.0 111.921 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 25.4 mmt -84.74 4.49 32.53 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.063 1.345 . . . . 0.0 113.643 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -60.47 147.94 39.34 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.948 1.299 . . . . 0.0 112.469 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -133.89 154.82 80.58 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 126.571 1.948 . . . . 0.0 111.417 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.84 153.0 79.4 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 123.438 2.759 . . . . 0.0 112.959 -176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 15.1 t -65.43 -30.27 71.05 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.647 1.179 . . . . 0.0 112.98 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 43.8 t -108.98 118.3 36.45 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.7 1.2 . . . . 0.0 110.2 168.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 69.0 p -77.48 -16.06 58.95 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.255 1.022 . . . . 0.0 113.651 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.79 3.77 18.49 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.37 -24.88 56.79 Favored Glycine 0 CA--C 1.543 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 114.87 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -74.42 -23.34 58.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.363 1.082 . . . . 0.0 113.912 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -62.23 -49.3 76.29 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.594 1.158 . . . . 0.0 111.545 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -69.35 -36.6 77.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.91 0.884 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.37 -37.26 82.89 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.409 0.683 . . . . 0.0 111.787 176.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -67.03 -43.49 82.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.644 0.777 . . . . 0.0 111.961 176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.09 -43.69 98.5 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.021 -1.049 . . . . 0.0 111.543 170.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -59.1 -44.34 91.94 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.42 -0.8 . . . . 0.0 112.063 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -73.21 -38.34 66.12 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.42 -38.94 88.94 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.917 0.887 . . . . 0.0 112.481 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 13.5 t -59.92 -20.7 58.85 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -78.66 -21.09 48.82 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -70.22 146.28 50.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.143 0.883 . . . . 0.0 112.742 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 31.4 t -67.93 165.75 17.1 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.203 1.401 . . . . 0.0 111.78 167.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -56.76 -40.42 75.79 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.331 1.453 . . . . 0.0 113.397 -175.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -73.7 -36.9 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.682 1.193 . . . . 0.0 112.485 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -71.92 -41.52 67.78 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.45 1.1 . . . . 0.0 112.842 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -63.97 -31.8 73.12 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.639 0.654 . . . . 0.0 112.058 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 60.0 mtm -74.6 -41.15 60.96 Favored 'General case' 0 C--N 1.341 0.235 0 O-C-N 121.819 -0.551 . . . . 0.0 112.164 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.87 -40.83 89.99 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 118.366 0.53 . . . . 0.0 111.758 172.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.54 -52.01 66.21 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.089 1.356 . . . . 0.0 111.432 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.91 92.69 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.35 -46.28 87.29 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.501 1.52 . . . . 0.0 111.563 174.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.53 -46.82 86.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.97 1.308 . . . . 0.0 111.862 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.79 -40.69 93.54 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.871 0.869 . . . . 0.0 112.379 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -66.0 -49.9 66.17 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.331 0.652 . . . . 0.0 112.69 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -63.83 -31.07 72.12 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.563 0.62 . . . . 0.0 111.979 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.95 -51.8 65.49 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.741 0.7 . . . . 0.0 112.563 173.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -68.36 -21.94 64.69 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.088 0.858 . . . . 0.0 113.207 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 7.8 mp -76.13 -40.64 52.26 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.519 1.128 . . . . 0.0 112.603 170.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -75.14 -32.32 61.32 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -65.58 144.57 56.89 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.767 1.227 . . . . 0.0 112.399 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.797 1.665 . . . . 0.0 113.152 178.196 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 CA-C-O 119.659 -0.523 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.08 143.46 99.55 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 124.015 3.143 . . . . 0.0 114.165 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.62 139.95 18.42 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.653 1.121 . . . . 0.0 113.711 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.8 p -83.25 -13.55 55.04 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.085 1.354 . . . . 0.0 114.445 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.05 170.89 11.89 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.622 1.569 . . . . 0.0 113.663 -179.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -67.61 -13.43 62.07 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.267 1.427 . . . . 0.0 114.181 178.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.1 mttt 66.7 148.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.157 0 C-N-CA 129.567 3.147 . . . . 0.0 115.575 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -63.34 156.65 54.7 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 123.194 2.596 . . . . 0.0 113.503 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 80.3 p -73.35 -25.22 60.51 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.643 0.777 . . . . 0.0 112.731 168.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.6 t -156.66 146.23 20.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.917 2.087 . . . . 0.0 110.479 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 t -155.82 148.35 23.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.51 1.524 . . . . 0.0 111.524 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -63.69 -14.88 56.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.682 1.193 . . . . 0.0 113.115 174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.47 -3.31 19.12 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.512 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -54.88 -31.13 59.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.165 1.482 . . . . 0.0 112.965 176.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.26 -39.49 94.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.815 1.646 . . . . 0.0 112.962 -177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -69.38 -39.44 78.02 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.642 0.777 . . . . 0.0 111.413 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -67.07 -35.16 79.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.741 0.816 . . . . 0.0 111.949 172.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -66.68 -45.94 77.23 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.704 0.802 . . . . 0.0 111.332 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.66 -42.48 92.93 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.282 -0.886 . . . . 0.0 112.402 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -61.19 -40.04 92.45 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.642 -0.661 . . . . 0.0 112.589 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -78.52 -39.4 38.12 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.74 -37.61 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.515 1.126 . . . . 0.0 112.589 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t -57.61 -26.14 61.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 mmm-85 -76.04 -21.19 57.09 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.96 147.79 40.55 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.728 0.811 . . . . 0.0 112.834 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 t -73.92 164.8 26.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 111.342 167.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 tptm -54.38 -41.4 69.16 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.787 1.635 . . . . 0.0 113.64 -172.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.81 -35.86 67.42 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.917 0.887 . . . . 0.0 112.779 177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -74.61 -41.89 59.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.996 0.919 . . . . 0.0 112.884 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.72 -34.17 77.28 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 118.243 0.474 . . . . 0.0 111.995 172.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.5 mtm -69.67 -43.02 73.39 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.676 -0.64 . . . . 0.0 112.406 174.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.67 97.38 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 119.01 0.823 . . . . 0.0 111.803 175.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.1 -50.82 70.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.409 1.084 . . . . 0.0 111.488 175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.02 89.56 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.1 -41.48 94.92 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.079 0.952 . . . . 0.0 111.773 174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.0 -44.64 94.42 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.673 1.189 . . . . 0.0 111.837 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.7 mp -61.94 -39.74 93.11 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.775 0.83 . . . . 0.0 111.978 171.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -68.13 -47.8 67.12 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.522 -0.736 . . . . 0.0 112.555 -177.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -64.15 -32.31 73.84 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 119.216 0.917 . . . . 0.0 111.926 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.4 -46.13 89.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.118 0.967 . . . . 0.0 112.801 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.09 -29.66 63.1 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 mp -71.29 -37.42 71.85 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.388 0.994 . . . . 0.0 113.039 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -70.89 -32.55 69.54 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -93.56 -19.8 20.84 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.358 0 C-N-CA 125.881 1.705 . . . . 0.0 113.94 177.866 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.495 ' N ' ' HG ' ' B' ' 104' ' ' SER . . . . . . . . 0 N--CA 1.48 1.624 0 CA-C-O 119.778 -0.457 . . . . 0.0 112.153 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -60.55 -29.82 89.36 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.663 2.909 . . . . 0.0 114.891 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.58 -4.6 76.2 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.593 1.568 . . . . 0.0 115.758 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' B' ' 101' ' ' GLY . 49.8 m -68.47 131.07 44.64 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.585 1.192 . . . . 0.0 113.093 -174.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 94.2 mtp -78.34 174.47 11.22 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.267 1.427 . . . . 0.0 112.433 174.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -60.02 159.13 9.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.477 1.111 . . . . 0.0 112.478 169.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.7 142.21 98.0 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.335 1.054 . . . . 0.0 112.049 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -73.33 164.52 34.98 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.205 3.27 . . . . 0.0 112.185 173.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 57.1 m -78.91 82.61 5.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.307 1.043 . . . . 0.0 110.172 172.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 38.1 m -137.16 10.36 3.02 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.208 1.403 . . . . 0.0 113.943 -170.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -67.67 153.85 42.8 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.661 1.584 . . . . 0.0 113.403 -175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -65.0 -11.05 34.53 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.536 1.534 . . . . 0.0 114.896 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.46 -18.51 30.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.136 1.35 . . . . 0.0 115.312 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -58.06 -32.92 68.48 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.088 1.444 . . . . 0.0 111.933 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -66.09 -43.26 87.83 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.134 1.373 . . . . 0.0 111.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -67.19 -39.76 86.4 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.688 0.795 . . . . 0.0 111.697 175.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -68.34 -25.54 65.15 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -77.2 -45.55 26.2 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.227 -0.921 . . . . 0.0 111.21 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.7 mp -58.85 -41.63 87.43 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.789 -1.194 . . . . 0.0 111.409 171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 42.2 t -57.77 -46.71 84.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.665 0.786 . . . . 0.0 112.745 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -74.77 -38.49 62.17 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.1 -39.89 87.74 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.631 1.172 . . . . 0.0 112.617 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.4 t -63.07 -21.06 65.91 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -76.44 -22.55 54.48 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.0 145.05 48.59 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.058 0.943 . . . . 0.0 112.174 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 37.9 t -64.06 163.59 12.1 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.018 1.327 . . . . 0.0 112.068 169.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -57.62 -37.6 73.56 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.923 1.289 . . . . 0.0 112.816 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -72.08 -41.16 67.69 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.604 0.761 . . . . 0.0 112.514 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -70.6 -39.63 73.7 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.928 0.891 . . . . 0.0 112.659 -175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -63.42 -32.45 73.88 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 118.71 0.686 . . . . 0.0 112.091 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.4 mtm -73.25 -42.98 61.9 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.124 0.57 . . . . 0.0 111.909 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.68 87.13 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.524 0.602 . . . . 0.0 112.063 172.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -65.35 -48.73 71.97 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 112.197 175.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.31 -37.46 87.59 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.764 -0.585 . . . . 0.0 112.262 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.73 -43.96 91.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.535 1.134 . . . . 0.0 111.498 173.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -57.87 -47.1 83.71 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.552 1.141 . . . . 0.0 111.622 173.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.11 -40.88 86.74 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.792 0.837 . . . . 0.0 111.77 173.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -69.39 -47.14 65.14 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.321 0.51 . . . . 0.0 112.122 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.07 -31.67 73.0 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.875 0.761 . . . . 0.0 112.176 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -61.11 -51.42 69.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.92 0.782 . . . . 0.0 112.146 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.35 -25.07 64.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.458 1.027 . . . . 0.0 113.489 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.24 -39.96 68.08 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.043 0.937 . . . . 0.0 112.084 172.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -77.57 -33.29 54.01 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.03 141.97 57.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.292 1.437 . . . . 0.0 112.65 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.309 0 C-N-CA 125.231 1.396 . . . . 0.0 112.808 -179.921 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 CA-C-O 119.459 -0.634 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -70.05 152.94 68.01 Favored 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 124.18 3.253 . . . . 0.0 113.045 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 67.78 -159.88 50.46 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.417 1.008 . . . . 0.0 114.528 177.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.5 m 61.71 -16.94 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 118.083 2.623 . . . . 0.0 118.083 175.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.9 ptm -65.16 132.76 49.97 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.689 1.131 . . . . 0.0 112.06 177.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 56.0 p30 -150.78 10.61 0.64 Allowed 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -147.1 138.96 13.62 Favored Pre-proline 0 N--CA 1.479 0.995 0 C-N-CA 125.737 1.615 . . . . 0.0 110.458 -178.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -58.36 142.9 98.0 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.253 2.635 . . . . 0.0 113.463 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.0 m 60.62 -65.11 0.06 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.303 2.241 . . . . 0.0 114.546 -172.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -161.74 151.19 16.25 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.789 1.635 . . . . 0.0 111.637 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 m -67.42 139.3 57.1 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.99 1.316 . . . . 0.0 112.456 176.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -145.96 10.58 1.18 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -170.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.18 -7.04 70.64 Favored Glycine 0 CA--C 1.539 1.57 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 -170.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.4 p-90 -60.74 -29.85 69.63 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 118.854 1.327 . . . . 0.0 113.686 -174.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.53 -35.64 80.74 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.086 1.354 . . . . 0.0 113.032 -175.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.96 -39.27 79.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.733 0.813 . . . . 0.0 111.976 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.85 -33.39 74.67 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.833 0.853 . . . . 0.0 111.975 173.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -68.61 -44.29 74.57 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.759 -0.588 . . . . 0.0 111.144 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.47 -41.41 89.68 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.822 -1.174 . . . . 0.0 111.861 170.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -59.72 -43.37 94.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.296 0.638 . . . . 0.0 112.284 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -74.76 -39.85 61.55 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 176.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.63 -36.17 80.0 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.113 0.965 . . . . 0.0 111.971 -177.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.3 t -55.92 -26.42 47.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.658 1.183 . . . . 0.0 114.057 175.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -81.85 -21.54 37.5 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -173.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.93 144.16 49.05 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.995 0.918 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 t -70.17 165.6 21.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.637 1.175 . . . . 0.0 112.378 171.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -56.1 -36.67 68.41 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.096 1.358 . . . . 0.0 113.913 -172.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -81.42 -28.92 34.04 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 113.38 176.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.76 -42.24 50.91 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.558 1.143 . . . . 0.0 112.236 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.84 -30.75 71.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.203 0.601 . . . . 0.0 112.352 174.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -66.35 -48.28 70.75 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.666 0.386 . . . . 0.0 111.951 172.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.59 87.3 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.035 0.534 . . . . 0.0 111.728 178.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.48 -54.67 40.28 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.607 1.163 . . . . 0.0 111.2 173.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.46 81.21 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.611 -0.68 . . . . 0.0 112.729 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -64.54 -45.46 87.05 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.691 1.197 . . . . 0.0 110.971 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.05 -45.69 90.14 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.432 1.093 . . . . 0.0 111.592 175.177 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.07 -36.98 83.3 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.294 0.638 . . . . 0.0 112.188 173.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -67.32 -50.14 61.32 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.333 0.97 . . . . 0.0 112.053 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -64.7 -28.43 69.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.662 0.665 . . . . 0.0 112.569 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -62.54 -52.74 62.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.457 0.571 . . . . 0.0 111.879 172.089 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.8 -29.21 66.46 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.875 0.761 . . . . 0.0 112.911 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.5 tp -68.95 -35.1 76.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.854 1.261 . . . . 0.0 113.877 179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -105.29 -18.8 14.0 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.116 1.525 . . . . 0.0 115.116 -172.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.74 157.43 37.93 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.975 1.261 . . . . 0.0 113.514 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.115 0 C-N-CA 125.521 1.534 . . . . 0.0 112.775 -179.778 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.55 149.24 79.66 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.698 2.932 . . . . 0.0 112.681 -179.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.97 -17.85 70.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 124.059 0.838 . . . . 0.0 115.168 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 32.9 t -69.46 -32.21 70.98 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 172.201 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 58.4 mtt 58.96 164.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.761 2.424 . . . . 0.0 115.655 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -68.27 131.99 46.32 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.075 -1.015 . . . . 0.0 111.352 176.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -86.17 149.7 50.53 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 124.696 1.199 . . . . 0.0 112.106 -176.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.94 146.09 81.77 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.97 2.447 . . . . 0.0 112.005 173.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -76.94 135.8 38.77 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.618 0.767 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 19.3 m -63.04 149.37 45.2 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.519 1.127 . . . . 0.0 113.115 178.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -20.31 65.57 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -173.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -112.06 -18.69 12.55 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.365 1.466 . . . . 0.0 114.016 170.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -30.23 77.42 Favored Glycine 0 N--CA 1.476 1.328 0 O-C-N 120.912 -1.118 . . . . 0.0 113.771 -172.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -67.02 -26.08 66.6 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.738 1.215 . . . . 0.0 113.518 174.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -68.87 -39.09 80.03 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.887 0.875 . . . . 0.0 111.817 -172.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.52 -39.34 93.6 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.896 0.878 . . . . 0.0 112.172 175.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.36 -35.36 77.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.71 0.804 . . . . 0.0 112.088 173.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.6 -44.47 70.67 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.511 -0.743 . . . . 0.0 111.343 177.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.43 -40.06 81.51 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.412 -0.805 . . . . 0.0 112.101 170.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.7 t -62.82 -46.42 88.04 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.779 0.831 . . . . 0.0 112.51 176.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -68.42 -38.34 81.13 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.467 -0.77 . . . . 0.0 112.843 178.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.53 -31.77 71.8 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.595 1.158 . . . . 0.0 112.647 178.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 8.7 t -59.35 -31.17 68.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.455 1.102 . . . . 0.0 113.778 174.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -74.79 -21.16 59.47 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -172.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.7 144.16 49.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.616 0.766 . . . . 0.0 112.694 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 27.6 t -69.74 167.11 17.8 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.382 1.473 . . . . 0.0 112.093 166.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -56.82 -40.79 76.63 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 125.297 1.439 . . . . 0.0 113.754 -175.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.64 -39.27 67.33 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.046 0.538 . . . . 0.0 111.974 175.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.49 -40.37 80.93 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.54 1.136 . . . . 0.0 112.673 -177.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -66.25 -31.75 72.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.255 0.934 . . . . 0.0 112.327 176.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 54.5 mtm -72.76 -41.59 64.9 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.892 -0.505 . . . . 0.0 111.823 174.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.17 95.83 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.16 0.584 . . . . 0.0 112.21 173.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.93 -52.29 65.64 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.892 1.277 . . . . 0.0 111.973 175.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.85 96.53 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.653 -0.654 . . . . 0.0 112.728 179.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.4 -40.3 93.23 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.683 0.793 . . . . 0.0 112.283 176.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.28 -50.51 73.36 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.566 1.146 . . . . 0.0 111.307 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.3 -41.77 85.2 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.661 0.784 . . . . 0.0 112.059 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -65.93 -52.42 49.96 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.561 1.144 . . . . 0.0 111.794 179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -68.7 -28.71 67.09 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 118.794 0.724 . . . . 0.0 112.915 -177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -58.66 -43.7 89.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.77 0.828 . . . . 0.0 112.458 175.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -80.96 -34.73 32.92 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 174.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -76.0 -42.77 47.1 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -174.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -168.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.59 143.78 40.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.973 0.909 . . . . 0.0 112.74 177.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.235 1.874 . . . . 0.0 112.6 178.066 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 CA-C-O 119.01 -0.883 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -62.04 168.76 26.37 Favored 'Cis proline' 0 C--N 1.354 0.849 0 CA-C-N 119.568 1.684 . . . . 0.0 114.911 -0.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.1 161.42 33.28 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.866 1.222 . . . . 0.0 112.896 178.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.4 m -81.19 66.29 6.67 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.066 1.346 . . . . 0.0 112.489 -178.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.3 tpp -63.04 126.85 28.72 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.052 0.941 . . . . 0.0 111.385 179.504 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -82.91 54.38 2.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.339 1.456 . . . . 0.0 112.911 -179.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -62.24 134.22 94.6 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.848 1.259 . . . . 0.0 110.9 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -69.45 101.79 0.91 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.435 2.757 . . . . 0.0 111.881 179.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.4 t -80.83 -20.27 42.8 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.389 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.6 m -60.97 143.87 54.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.573 1.549 . . . . 0.0 113.766 -176.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.3 p -75.46 166.15 24.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.238 1.015 . . . . 0.0 113.01 179.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.07 -2.49 21.5 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.232 1.413 . . . . 0.0 114.367 173.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.46 -22.22 55.9 Favored Glycine 0 CA--C 1.536 1.388 0 O-C-N 120.864 -1.148 . . . . 0.0 115.233 -171.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -63.04 -29.62 70.96 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.283 1.041 . . . . 0.0 113.208 173.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -68.66 -38.41 80.38 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.266 1.026 . . . . 0.0 112.572 -175.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.02 -40.97 87.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.707 0.803 . . . . 0.0 111.883 175.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -66.61 -34.23 77.43 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.227 0.611 . . . . 0.0 112.084 172.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -69.35 -45.95 68.17 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.094 0.557 . . . . 0.0 111.327 177.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.85 -36.91 77.85 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.087 -1.008 . . . . 0.0 111.79 172.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.6 t -64.5 -46.87 81.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.355 0.662 . . . . 0.0 112.66 175.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -72.41 -35.23 68.32 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.58 -29.6 66.55 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.772 1.229 . . . . 0.0 112.904 174.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -64.63 -26.01 68.21 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.131 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -84.48 -23.54 29.82 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -167.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.43 147.69 43.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.412 1.485 . . . . 0.0 113.018 -176.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -71.92 165.54 23.96 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.237 1.015 . . . . 0.0 111.453 164.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -65.27 -35.68 81.77 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -168.116 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -67.36 -36.83 82.17 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.392 -0.818 . . . . 0.0 111.969 172.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -73.05 -45.69 55.99 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.473 1.109 . . . . 0.0 112.831 -179.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -62.24 -33.94 75.57 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.238 0.926 . . . . 0.0 112.508 175.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 73.2 mtm -75.57 -39.55 57.95 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.514 175.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.35 90.49 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.165 0.893 . . . . 0.0 112.075 172.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.69 -51.24 70.65 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.418 1.487 . . . . 0.0 111.808 173.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.15 99.49 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.71 -41.29 99.07 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.575 1.15 . . . . 0.0 112.074 178.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -61.62 -38.75 88.78 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.096 1.359 . . . . 0.0 113.188 174.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.89 -42.69 76.57 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.537 0.735 . . . . 0.0 111.833 170.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.29 -45.65 87.07 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.529 1.131 . . . . 0.0 112.37 -175.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -65.1 -35.65 81.81 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 118.572 0.624 . . . . 0.0 112.17 178.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -65.76 -44.44 85.85 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -75.37 -29.04 59.75 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.44 -32.51 73.42 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.557 1.071 . . . . 0.0 113.251 172.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.38 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 176.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -82.16 -7.74 59.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.399 1.08 . . . . 0.0 113.599 176.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.514 1.53 . . . . 0.0 113.786 -178.836 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.379 -0.678 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -68.09 -17.99 45.7 Favored 'Trans proline' 0 CA--C 1.541 0.859 0 C-N-CA 123.992 3.128 . . . . 0.0 114.633 -173.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.36 -6.65 86.64 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.546 1.07 . . . . 0.0 115.365 174.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 86.4 p -74.22 163.36 27.93 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.993 1.396 . . . . 0.0 113.077 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 78.7 mtp 63.49 157.89 0.07 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.093 2.557 . . . . 0.0 115.596 -178.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -72.05 137.79 47.4 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.26 -0.9 . . . . 0.0 110.671 172.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -140.02 144.04 36.55 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.348 1.459 . . . . 0.0 111.109 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.01 145.08 54.64 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.57 2.847 . . . . 0.0 112.384 -177.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 79.3 p -79.38 -22.31 44.54 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.001 0.921 . . . . 0.0 113.394 174.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 39.3 m 61.3 159.06 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 127.483 2.313 . . . . 0.0 115.746 -175.561 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 26.1 m -68.55 -18.58 64.38 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -69.73 -45.27 68.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.858 0.863 . . . . 0.0 112.789 -178.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.96 -45.2 0.7 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 126.813 2.149 . . . . 0.0 116.141 176.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -66.2 -26.75 67.54 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.813 1.245 . . . . 0.0 113.755 -171.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -65.01 -38.93 92.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.395 1.078 . . . . 0.0 113.406 -173.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -68.34 -38.77 81.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.665 0.786 . . . . 0.0 111.742 176.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.96 -33.84 76.45 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.362 -0.836 . . . . 0.0 112.323 173.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.18 -45.39 77.1 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 121.351 -0.843 . . . . 0.0 111.396 175.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 -38.97 88.61 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.931 . . . . 0.0 112.022 170.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 33.7 t -60.23 -45.64 92.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.421 -0.8 . . . . 0.0 112.397 176.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -77.08 -36.29 55.92 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.6 -37.31 80.97 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.907 0.883 . . . . 0.0 112.63 178.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 23.1 t -57.99 -22.74 50.95 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.549 1.14 . . . . 0.0 113.994 175.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -77.41 -19.45 56.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.657 1.183 . . . . 0.0 114.131 -179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.29 144.68 46.51 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.306 0.957 . . . . 0.0 112.963 179.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 17.2 t -70.77 168.84 15.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.935 1.294 . . . . 0.0 112.401 170.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -56.95 -37.82 72.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.306 1.442 . . . . 0.0 114.111 -173.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -82.42 -29.68 30.58 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.623 0.769 . . . . 0.0 112.861 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -72.76 -41.38 65.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.537 1.135 . . . . 0.0 112.054 178.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.58 70.48 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.733 -0.604 . . . . 0.0 112.046 174.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 61.5 mtt -68.01 -47.63 67.94 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.181 0.446 . . . . 0.0 111.569 172.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.92 -38.27 87.8 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 122.837 0.455 . . . . 0.0 112.004 178.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -52.53 63.71 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.088 1.355 . . . . 0.0 111.388 173.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.77 -35.68 81.4 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.36 -0.837 . . . . 0.0 113.097 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.83 -45.78 84.72 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.778 1.231 . . . . 0.0 111.281 173.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.05 -44.64 87.55 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.139 0.976 . . . . 0.0 111.459 174.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.2 mp -67.27 -32.44 73.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.295 -0.86 . . . . 0.0 112.543 175.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -70.49 -48.16 57.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.936 1.244 . . . . 0.0 112.289 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -62.56 -32.53 73.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.266 0.939 . . . . 0.0 111.991 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -35.39 71.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.601 1.161 . . . . 0.0 113.576 174.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -87.27 -37.02 17.58 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.215 0.916 . . . . 0.0 113.361 171.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 12.8 tp -67.52 -34.62 77.48 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -175.063 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -69.22 -12.36 61.6 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.805 1.242 . . . . 0.0 113.591 178.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -77.51 -15.87 59.03 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.259 0 C-N-CA 125.143 1.354 . . . . 0.0 113.306 -179.114 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 CA-C-O 119.851 -0.416 . . . . 0.0 112.277 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -62.1 155.61 54.95 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 124.275 3.317 . . . . 0.0 114.159 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.07 158.6 44.47 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.56 1.076 . . . . 0.0 113.524 173.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 t 56.97 32.56 21.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.506 1.522 . . . . 0.0 114.953 175.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 35.3 mmt -74.87 155.82 37.1 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.868 -1.145 . . . . 0.0 112.308 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.95 161.94 35.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.808 1.643 . . . . 0.0 112.474 -176.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -65.22 158.04 74.12 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.883 1.273 . . . . 0.0 113.364 176.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.75 147.7 86.84 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.561 2.84 . . . . 0.0 114.05 177.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.5 t -156.48 168.43 27.4 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.27 1.828 . . . . 0.0 110.823 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -63.85 116.92 6.25 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.143 0.977 . . . . 0.0 111.513 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 t -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.8 0.84 . . . . 0.0 113.163 -171.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -107.05 18.4 21.8 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.831 1.253 . . . . 0.0 113.742 -178.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.75 -16.21 37.3 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.159 0.885 . . . . 0.0 114.798 176.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -60.01 -27.04 66.55 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.604 1.162 . . . . 0.0 113.172 174.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.64 -41.46 97.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.137 0.975 . . . . 0.0 112.479 -177.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -66.9 -39.71 87.51 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.012 0.925 . . . . 0.0 111.746 178.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.44 -33.49 75.25 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.607 0.763 . . . . 0.0 111.865 173.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -70.62 -46.1 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.484 -0.76 . . . . 0.0 111.52 176.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -56.64 -39.68 74.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.362 -0.836 . . . . 0.0 111.814 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.3 t -62.99 -49.08 76.11 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.985 0.914 . . . . 0.0 112.865 176.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 -70.68 -34.73 72.31 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.78 -31.38 70.75 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.684 1.194 . . . . 0.0 112.477 175.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.5 t -60.82 -25.81 66.86 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.821 1.248 . . . . 0.0 114.172 173.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -77.14 -22.28 52.85 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -174.402 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -75.34 146.43 40.91 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.767 0.827 . . . . 0.0 112.576 -176.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t -69.09 166.69 17.62 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.002 1.321 . . . . 0.0 111.872 166.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -55.75 -42.28 75.2 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.688 1.595 . . . . 0.0 113.318 -176.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -69.66 -40.72 76.29 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.45 1.1 . . . . 0.0 112.192 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -71.43 -40.72 70.23 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.814 1.246 . . . . 0.0 113.423 -176.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.67 -33.86 76.93 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.034 0.834 . . . . 0.0 111.909 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.1 mtm -74.23 -41.63 61.03 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.791 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.71 -40.85 89.35 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.787 0.721 . . . . 0.0 112.167 173.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -63.15 -50.0 72.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.106 0.963 . . . . 0.0 111.857 174.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.27 89.93 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 121.656 -0.653 . . . . 0.0 112.665 178.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -65.59 -42.95 91.11 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.809 1.244 . . . . 0.0 111.716 175.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.02 -45.97 89.37 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.958 1.303 . . . . 0.0 111.533 172.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.6 -38.61 81.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.105 0.962 . . . . 0.0 112.318 172.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -68.89 -50.81 46.47 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.48 0.712 . . . . 0.0 112.839 -179.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -64.72 -28.9 69.9 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.052 0.842 . . . . 0.0 112.299 178.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -60.79 -51.17 70.47 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.323 -0.861 . . . . 0.0 113.03 170.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -67.83 -22.62 65.14 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.657 1.117 . . . . 0.0 113.769 176.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.07 -40.77 62.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.006 0.922 . . . . 0.0 111.64 171.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -70.86 -15.78 62.66 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 175.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -72.02 -11.31 60.71 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 167.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.427 0 C-N-CA 125.565 1.555 . . . . 0.0 114.065 178.101 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 CA-C-O 120.028 -0.318 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -74.41 -10.51 22.25 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.135 3.223 . . . . 0.0 115.45 -177.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.68 -99.1 2.16 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.123 -0.986 . . . . 0.0 112.229 -176.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t 61.76 175.32 0.12 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.983 1.713 . . . . 0.0 113.846 -171.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 28.3 ttt -63.03 142.52 58.35 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.697 1.199 . . . . 0.0 111.171 174.394 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -65.36 146.15 55.27 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.882 1.273 . . . . 0.0 112.715 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -141.14 149.9 56.99 Favored Pre-proline 0 N--CA 1.479 0.992 0 C-N-CA 126.166 1.786 . . . . 0.0 111.183 -172.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.45 157.24 62.7 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.37 2.713 . . . . 0.0 113.006 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 84.8 m -72.03 -40.7 68.24 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.812 0.845 . . . . 0.0 112.488 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 49.0 m 49.44 51.03 17.13 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.874 1.67 . . . . 0.0 114.388 171.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 47.1 t -138.92 145.86 40.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.177 1.391 . . . . 0.0 112.774 -175.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.89 6.84 8.22 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.487 1.515 . . . . 0.0 113.271 175.031 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.64 -5.26 29.6 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.519 1.533 . . . . 0.0 116.294 -176.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -55.81 -27.16 49.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.761 1.28 . . . . 0.0 113.154 173.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -61.24 -34.63 75.46 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.687 1.595 . . . . 0.0 113.073 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -68.53 -39.38 81.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.711 0.804 . . . . 0.0 112.047 177.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -68.96 -33.95 74.54 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.501 0.72 . . . . 0.0 111.909 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -69.33 -43.61 73.34 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 122.005 -0.434 . . . . 0.0 111.595 176.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.05 -40.54 94.01 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.192 -0.943 . . . . 0.0 111.747 169.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.5 t -58.27 -45.6 87.56 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.31 -0.869 . . . . 0.0 112.287 176.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 23.9 ptt85 -74.55 -35.15 63.07 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.401 1.0 . . . . 0.0 113.371 178.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 4.4 mp -65.09 -35.66 81.84 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.041 0.936 . . . . 0.0 112.127 178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 19.1 t -60.19 -25.05 65.28 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 178.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -74.93 -22.14 58.77 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -173.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -71.02 143.98 50.59 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.089 1.356 . . . . 0.0 112.805 -178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -70.44 168.58 15.84 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.348 1.459 . . . . 0.0 112.404 169.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -54.4 -40.79 68.56 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.693 1.597 . . . . 0.0 113.941 -173.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.15 -30.41 34.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.635 1.174 . . . . 0.0 112.67 178.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.68 -38.75 62.32 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.48 1.112 . . . . 0.0 112.66 179.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.76 -26.91 67.93 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.648 -0.657 . . . . 0.0 112.356 174.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 59.5 mtt -69.55 -47.43 63.71 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.833 -0.542 . . . . 0.0 111.161 170.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.55 81.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.362 0.665 . . . . 0.0 112.554 178.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.44 -53.38 59.02 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.848 1.259 . . . . 0.0 111.681 171.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.9 85.55 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.34 -45.7 92.02 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.033 1.333 . . . . 0.0 110.982 175.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -59.28 -46.18 89.24 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 111.789 176.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.98 -37.53 87.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.801 0.84 . . . . 0.0 112.399 173.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -69.23 -48.42 62.0 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.237 1.015 . . . . 0.0 112.793 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -62.94 -33.14 74.72 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.134 0.879 . . . . 0.0 111.852 177.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.51 -49.81 73.88 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.978 0.911 . . . . 0.0 112.507 174.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.97 -22.91 64.08 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mp -81.37 -41.62 21.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.546 1.138 . . . . 0.0 113.127 175.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -79.46 -31.34 42.42 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.137 0.975 . . . . 0.0 113.196 -178.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -68.77 142.02 55.05 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.964 0.906 . . . . 0.0 112.463 178.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.309 0 C-N-CA 125.451 1.5 . . . . 0.0 113.294 -177.45 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 CA-C-O 119.982 -0.343 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -66.96 -17.34 51.39 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 124.088 3.192 . . . . 0.0 115.732 -175.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.99 9.62 86.8 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 124.112 0.863 . . . . 0.0 114.138 -174.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.3 t -153.75 166.36 33.1 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.96 2.104 . . . . 0.0 110.638 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.5 mtm -60.96 151.62 29.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.441 1.096 . . . . 0.0 112.309 178.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -143.96 152.97 41.77 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.304 1.042 . . . . 0.0 112.045 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -85.14 164.14 42.57 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.676 1.59 . . . . 0.0 112.41 173.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -72.03 -21.24 24.39 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.623 2.215 . . . . 0.0 115.892 -172.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -135.72 158.22 44.93 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.417 1.487 . . . . 0.0 112.438 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.2 p -66.81 -19.95 65.84 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 t -152.39 156.24 39.14 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.659 1.583 . . . . 0.0 110.586 178.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.8 p30 -142.77 177.21 8.48 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.761 1.625 . . . . 0.0 112.283 -178.132 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.04 -34.89 1.92 Allowed Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.2 1.381 . . . . 0.0 114.265 -176.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -60.84 -25.47 66.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.234 1.414 . . . . 0.0 112.444 172.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.48 -39.43 93.43 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.32 1.848 . . . . 0.0 112.898 -174.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -67.16 -41.23 86.37 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.06 0.944 . . . . 0.0 111.524 178.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.48 -30.78 68.75 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.625 -0.672 . . . . 0.0 112.544 173.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -69.28 -44.93 70.86 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.519 -0.738 . . . . 0.0 111.33 174.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.77 -40.42 75.82 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.069 -1.019 . . . . 0.0 111.667 169.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.2 t -64.01 -49.37 72.7 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.541 0.736 . . . . 0.0 112.549 177.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -66.85 -35.19 79.47 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 178.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.71 -28.14 69.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.171 0.988 . . . . 0.0 113.341 177.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -62.54 -27.03 68.88 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 173.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -79.94 -20.46 45.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.871 1.269 . . . . 0.0 114.06 -170.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -71.37 143.9 50.04 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.739 0.815 . . . . 0.0 111.832 178.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.2 t -65.83 163.44 16.81 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 111.605 167.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.43 -36.01 72.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.79 1.236 . . . . 0.0 113.253 -176.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -73.47 -39.7 64.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.06 0.944 . . . . 0.0 112.88 172.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.01 -40.74 78.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.071 0.949 . . . . 0.0 112.834 -177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.75 -30.15 71.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.79 0.723 . . . . 0.0 112.717 175.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.6 mtm -71.47 -45.0 63.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.904 0.482 . . . . 0.0 111.669 172.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.35 -37.31 85.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.316 0.646 . . . . 0.0 112.438 175.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.9 -51.9 66.29 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.259 1.423 . . . . 0.0 111.243 174.339 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.12 99.14 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 177.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.52 -46.7 88.07 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.363 1.065 . . . . 0.0 111.319 175.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -57.9 -50.85 71.94 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.136 1.375 . . . . 0.0 111.939 176.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.07 -36.17 80.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.472 0.709 . . . . 0.0 112.204 177.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -67.51 -51.95 44.84 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.131 0.972 . . . . 0.0 111.916 178.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -63.91 -33.09 74.93 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.989 0.813 . . . . 0.0 111.903 179.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -60.71 -48.21 82.82 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.122 -0.987 . . . . 0.0 112.382 177.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -80.02 -21.74 43.22 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.42 -39.51 53.33 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.491 171.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -82.46 -31.11 29.58 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -175.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -72.56 147.24 46.1 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.37 0.986 . . . . 0.0 113.294 -177.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.451 0 C-N-CA 125.659 1.6 . . . . 0.0 113.846 179.238 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.505 0 CA-C-O 119.744 -0.476 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -68.79 159.7 52.68 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 124.077 3.185 . . . . 0.0 113.227 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.44 169.65 38.8 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.884 1.23 . . . . 0.0 113.439 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 82.9 p -156.02 165.86 35.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.377 1.471 . . . . 0.0 113.202 178.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 93.1 mtp -84.31 7.21 20.11 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.074 1.35 . . . . 0.0 113.852 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -62.33 119.79 9.75 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.669 1.187 . . . . 0.0 112.606 -175.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -83.19 135.15 44.8 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 125.054 1.342 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -74.51 -20.43 18.12 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.197 2.598 . . . . 0.0 114.38 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 21.1 m -63.76 139.91 58.82 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.338 1.455 . . . . 0.0 112.55 -177.128 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 32.1 t -68.95 148.0 50.8 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.153 0.981 . . . . 0.0 113.276 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 20.2 m -74.77 -7.43 53.33 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.229 1.412 . . . . 0.0 114.46 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.67 9.18 2.41 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 -174.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.79 -12.36 27.72 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.734 1.159 . . . . 0.0 115.15 175.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 39.5 p-90 -57.85 -27.69 63.44 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.882 1.273 . . . . 0.0 112.379 172.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.18 -40.85 95.47 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.786 1.234 . . . . 0.0 112.549 -178.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -67.58 -38.39 84.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.555 0.742 . . . . 0.0 112.16 177.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -68.83 -33.95 74.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.561 -0.712 . . . . 0.0 112.264 172.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -68.17 -46.5 70.54 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.07 0.548 . . . . 0.0 111.117 175.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.31 -43.88 83.65 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.154 -0.966 . . . . 0.0 111.359 170.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 39.7 t -59.12 -44.45 92.0 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 121.4 -0.813 . . . . 0.0 112.421 178.39 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.63 -35.47 58.02 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mp -61.07 -35.5 77.12 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.393 1.077 . . . . 0.0 112.312 176.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.7 t -60.73 -27.55 68.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 176.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -75.49 -22.76 56.94 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.457 1.103 . . . . 0.0 113.842 -172.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.99 142.24 54.7 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.758 1.223 . . . . 0.0 112.098 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 63.2 m -69.24 166.29 18.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.027 1.331 . . . . 0.0 111.92 170.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -58.22 -35.71 72.09 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -173.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.06 -36.51 55.9 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.725 0.81 . . . . 0.0 112.937 173.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.18 -40.34 74.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.503 1.121 . . . . 0.0 112.677 -176.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.26 -28.95 70.08 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 175.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 52.4 mtt -70.08 -44.48 68.97 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.514 -0.741 . . . . 0.0 111.626 174.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.6 0.76 . . . . 0.0 112.072 177.756 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 68.0 tp -63.48 -50.45 69.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.789 0.835 . . . . 0.0 111.895 173.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.94 79.56 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.653 -0.655 . . . . 0.0 112.714 179.417 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -63.7 -46.38 85.73 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.927 1.291 . . . . 0.0 111.202 172.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -61.12 -37.02 81.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.569 1.147 . . . . 0.0 112.597 176.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.09 -43.46 82.49 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.109 0.964 . . . . 0.0 111.94 170.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.74 -50.24 71.86 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 112.635 -178.458 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.68 -33.42 73.96 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 118.72 0.691 . . . . 0.0 112.612 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.43 -42.28 83.41 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -74.53 -32.29 62.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 173.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 21.0 tp -64.18 -36.34 83.75 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.103 0.961 . . . . 0.0 113.33 -177.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -68.95 -20.32 64.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.336 1.055 . . . . 0.0 113.616 176.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -88.91 -6.47 57.27 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.888 1.275 . . . . 0.0 113.281 178.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.269 0 C-N-CA 125.722 1.63 . . . . 0.0 113.791 177.229 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.426 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -59.08 155.75 37.81 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.994 3.13 . . . . 0.0 114.1 -178.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.61 147.5 50.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.84 0.733 . . . . 0.0 113.385 176.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.6 t -79.46 76.99 6.05 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.716 1.206 . . . . 0.0 111.374 179.284 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.3 tpt 52.21 -89.76 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 128.135 2.574 . . . . 0.0 114.008 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.94 -28.93 64.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.322 1.049 . . . . 0.0 112.745 177.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -88.6 140.25 29.82 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 125.305 1.442 . . . . 0.0 111.752 179.131 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -61.7 177.12 1.03 Allowed 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 124.162 3.242 . . . . 0.0 114.201 169.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 t -61.63 151.56 33.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.253 1.021 . . . . 0.0 111.886 168.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t 57.18 -159.45 0.25 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.607 1.563 . . . . 0.0 113.15 -176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -149.66 133.2 16.69 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.26 1.424 . . . . 0.0 111.794 178.109 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -158.05 -173.81 4.53 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.106 1.762 . . . . 0.0 111.386 -178.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.36 -10.31 67.14 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 115.34 174.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 p-90 -61.28 -30.7 70.64 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.789 1.295 . . . . 0.0 112.122 174.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -64.03 -39.8 94.91 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.297 1.439 . . . . 0.0 112.457 -179.227 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.49 -38.35 84.21 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.504 0.722 . . . . 0.0 111.9 176.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -67.71 -34.93 77.85 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.82 0.848 . . . . 0.0 111.832 173.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.37 -45.2 76.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.23 0.612 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -41.84 85.05 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.376 -0.827 . . . . 0.0 112.081 170.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -61.57 -44.29 97.3 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.388 0.675 . . . . 0.0 112.662 175.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -72.51 -38.22 68.15 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.698 1.135 . . . . 0.0 112.919 178.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.52 -33.19 72.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.382 1.073 . . . . 0.0 112.243 178.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 t -64.13 -24.32 67.65 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -78.31 -23.63 47.03 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 120.967 -1.083 . . . . 0.0 113.747 -172.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.59 147.11 47.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.575 1.55 . . . . 0.0 112.859 -178.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.7 t -67.66 164.29 19.58 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.745 1.218 . . . . 0.0 111.824 167.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -57.78 -38.05 74.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.997 1.319 . . . . 0.0 113.425 -176.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -72.08 -39.55 68.89 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.705 -0.622 . . . . 0.0 112.3 174.016 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -70.51 -40.56 73.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.417 1.087 . . . . 0.0 113.029 -175.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 pp -62.73 -33.28 74.8 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.455 -0.778 . . . . 0.0 112.065 174.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtm -74.09 -40.4 62.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.247 175.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.9 -41.64 87.69 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.665 0.666 . . . . 0.0 112.084 172.518 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.9 tp -64.88 -48.72 73.24 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.98 0.912 . . . . 0.0 112.334 174.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.2 86.37 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.695 -0.628 . . . . 0.0 112.312 179.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -66.98 -42.49 84.99 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.763 1.225 . . . . 0.0 111.831 174.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.61 -39.11 86.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.934 1.293 . . . . 0.0 112.08 173.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.23 -42.43 93.39 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.88 0.872 . . . . 0.0 111.847 168.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -65.97 -47.37 74.82 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.417 1.008 . . . . 0.0 112.998 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.7 -32.57 74.1 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.648 0.658 . . . . 0.0 112.693 179.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.72 -43.84 87.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.017 0.927 . . . . 0.0 112.817 177.04 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -70.31 -35.56 73.75 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 118.957 0.799 . . . . 0.0 112.339 173.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -67.03 -41.76 86.03 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -177.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -72.94 -19.89 61.16 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 178.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -86.71 -1.71 57.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.085 1.354 . . . . 0.0 113.905 174.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 C-N-CA 125.374 1.464 . . . . 0.0 113.946 178.511 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 120.086 -0.286 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -64.21 151.14 86.64 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.245 3.297 . . . . 0.0 113.749 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.44 140.35 30.56 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 123.596 0.617 . . . . 0.0 112.894 171.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 71.2 m -83.54 143.65 30.04 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.577 0.751 . . . . 0.0 112.122 175.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . . . . . . . . . 98.0 mtp -75.23 -27.44 59.53 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.446 2.299 . . . . 0.0 113.225 -5.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -143.78 145.98 32.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.356 1.462 . . . . 0.0 111.141 176.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -72.71 139.13 80.33 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 124.612 1.165 . . . . 0.0 111.026 172.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.02 148.71 92.02 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.102 2.535 . . . . 0.0 113.565 172.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 71.9 m 65.44 146.23 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.702 2.001 . . . . 0.0 113.91 -175.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' SER . . . . . . . . . . . . . 30.9 t -60.76 129.84 43.5 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 121.054 -1.028 . . . . 0.0 112.25 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 25.5 t -162.23 162.89 28.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.856 1.662 . . . . 0.0 111.026 -177.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -77.35 43.75 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.527 1.531 . . . . 0.0 113.152 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.57 -18.13 50.59 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.911 -1.118 . . . . 0.0 114.765 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -61.97 -28.23 69.41 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.972 0.909 . . . . 0.0 112.938 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.37 -43.21 86.61 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -173.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -70.1 -32.94 71.23 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 176.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -68.08 -33.78 75.18 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.556 -0.715 . . . . 0.0 112.25 170.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -69.27 -41.82 76.35 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.641 -0.662 . . . . 0.0 111.312 175.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.04 -43.09 86.6 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.963 -1.086 . . . . 0.0 111.966 168.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 36.0 t -59.63 -45.04 93.16 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.755 -0.59 . . . . 0.0 112.313 178.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -75.06 -34.49 61.82 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.81 -37.55 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.456 1.102 . . . . 0.0 112.755 176.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 15.1 t -60.26 -22.8 63.53 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.279 1.215 . . . . 0.0 114.279 178.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.96 -22.59 53.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -174.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.73 145.55 40.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.936 1.294 . . . . 0.0 113.36 -175.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 22.8 t -71.63 166.35 22.06 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.981 1.312 . . . . 0.0 111.622 164.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -61.28 -40.42 94.07 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.941 -1.099 . . . . 0.0 113.697 -171.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -67.14 -33.43 75.43 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.734 -0.604 . . . . 0.0 112.056 175.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 129' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -76.34 -45.27 32.88 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.512 1.125 . . . . 0.0 112.403 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 130' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.74 -33.51 76.15 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 118.995 0.816 . . . . 0.0 111.946 175.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 131' ' ' MET . . . . . . . . . . . . . 23.7 mtt -65.24 -47.22 77.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.475 0.58 . . . . 0.0 111.382 173.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.89 93.52 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 122.926 0.49 . . . . 0.0 112.307 177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.62 -51.8 66.99 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.772 1.229 . . . . 0.0 111.504 175.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.63 91.62 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.802 -0.561 . . . . 0.0 112.383 179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.7 -40.19 88.36 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.065 -1.022 . . . . 0.0 111.993 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -59.01 -48.46 81.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.446 1.098 . . . . 0.0 111.775 171.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.25 -36.98 76.47 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.857 0.863 . . . . 0.0 112.286 174.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -68.61 -54.45 16.41 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.538 1.135 . . . . 0.0 111.97 179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -65.57 -27.75 68.65 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.196 0.907 . . . . 0.0 112.983 -177.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -61.43 -43.97 97.95 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.628 1.171 . . . . 0.0 113.008 174.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -86.59 -34.66 19.81 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.344 1.239 . . . . 0.0 114.344 177.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.38 -26.22 67.9 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -174.449 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 143' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -75.72 -13.86 60.32 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 173.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -85.93 158.52 19.89 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.492 1.117 . . . . 0.0 112.851 -177.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.329 0 C-N-CA 125.468 1.509 . . . . 0.0 114.169 178.525 . . . . . . . . 0 0 . 1 stop_ save_